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N1Q : Summary

Code

N1Q

One-letter code

X

Molecule name

5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide

Formula

C23 H26 F2 N4 O2

Formal charge

0

Molecular weight

428.475 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COCCN1CCC(CC1)CNC(=O)c2n[nH]c3ccc(cc23)c4cccc(F)c4F
SMILES OpenEye OEToolkits 2.0.7 COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F
Canonical SMILES CACTVS 3.385 COCCN1CCC(CC1)CNC(=O)c2n[nH]c3ccc(cc23)c4cccc(F)c4F
Canonical SMILES OpenEye OEToolkits 2.0.7 COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F

IUPAC InChI

InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)

IUPAC InChI key

QCLXNOBXQUWUEW-UHFFFAOYSA-N
N1Q

wwPDB Information

Atom count

57 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-11-06

Last modified at

2020-09-11

Status

Released

Obsoleted

Not Assigned