N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide

C34H25FN6O — CID 58345044

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
SMILESNc1ncccc1-c1nc2ccc(-c3ccc4c(c3)CC=C4)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C34H25FN6O/c35-26-7-2-6-25(19-26)34(42)38-20-21-9-13-27(14-10-21)41-32(28-8-3-17-37-31(28)36)40-30-16-15-29(39-33(30)41)24-12-11-22-4-1-5-23(22)18-24/h1-4,6-19H,5,20H2,(H2,36,37)(H,38,42)
InChIKeyNQYYNQZUTLRADO-UHFFFAOYSA-N
MW552.61 g/mol
LogP6.37
Rot. Bonds6

About N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide

N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide (PubChem CID 58345044) has the molecular formula C34H25FN6O and a molecular weight of 552.61 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
PubChem CID58345044
Molecular FormulaC34H25FN6O
Molecular Weight552.61 g/mol
Exact Mass552.21
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
SMILESNc1ncccc1-c1nc2ccc(-c3ccc4c(c3)CC=C4)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C34H25FN6O/c35-26-7-2-6-25(19-26)34(42)38-20-21-9-13-27(14-10-21)41-32(28-8-3-17-37-31(28)36)40-30-16-15-29(39-33(30)41)24-12-11-22-4-1-5-23(22)18-24/h1-4,6-19H,5,20H2,(H2,36,37)(H,38,42)
InChIKeyNQYYNQZUTLRADO-UHFFFAOYSA-N
XLogP6.37
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.61
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[5-(2-aminophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344965
N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344926
N-[[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58345314
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[[(Z)-3-amino-4,4,4-trifluorobut-2-enoyl]amino]benzamide
CID 176947939
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-cyano-5-fluoro-1,3-benzothiazole-7-carboxamide
CID 171496018
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-[(Z)-N'-hydrazinylcarbamimidoyl]benzamide
CID 176947959
4-N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-6-fluoro-1,3-benzothiazole-2,4-dicarboxamide
CID 171599294
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]cyclohexa-1,3-dien-1-yl]methyl]-3-fluorobenzamide
CID 123793365
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane
CID 171496035
methyl 3-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methylcarbamoyl]benzoate
CID 58345192
N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
CID 58344978
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide
CID 169175528

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide (CID 58345044) is N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide is Nc1ncccc1-c1nc2ccc(-c3ccc4c(c3)CC=C4)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
The InChIKey is NQYYNQZUTLRADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25FN6O/c35-26-7-2-6-25(19-26)34(42)38-20-21-9-13-27(14-10-21)41-32(28-8-3-17-37-31(28)36)40-30-16-15-29(39-33(30)41)24-12-11-22-4-1-5-23(22)18-24/h1-4,6-19H,5,20H2,(H2,36,37)(H,38,42).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide has a molecular weight of 552.61 g/mol, XLogP of 6.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 58345044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).