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

C29H23FN6O2 — CID 123793365

IUPACN-[[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
SMILESNc1ncccc1-c1nc2ccc(-c3ccco3)nc2n1C1=CC=C(CNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C29H23FN6O2/c30-20-5-1-4-19(16-20)29(37)33-17-18-8-10-21(11-9-18)36-27(22-6-2-14-32-26(22)31)35-24-13-12-23(34-28(24)36)25-7-3-15-38-25/h1-8,10,12-16H,9,11,17H2,(H2,31,32)(H,33,37)
InChIKeyDHOQQMAKUHCDRO-UHFFFAOYSA-N
MW506.54 g/mol
LogP5.47
Rot. Bonds6

About 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

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 (PubChem CID 123793365) has the molecular formula C29H23FN6O2 and a molecular weight of 506.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID123793365
Molecular FormulaC29H23FN6O2
Molecular Weight506.54 g/mol
Exact Mass506.19
IUPAC NameN-[[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
SMILESNc1ncccc1-c1nc2ccc(-c3ccco3)nc2n1C1=CC=C(CNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C29H23FN6O2/c30-20-5-1-4-19(16-20)29(37)33-17-18-8-10-21(11-9-18)36-27(22-6-2-14-32-26(22)31)35-24-13-12-23(34-28(24)36)25-7-3-15-38-25/h1-8,10,12-16H,9,11,17H2,(H2,31,32)(H,33,37)
InChIKeyDHOQQMAKUHCDRO-UHFFFAOYSA-N
XLogP5.47
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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)-5-(3H-inden-5-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58345044
N-[[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58345314
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482
3-[3-[4-(1-aminocyclobutyl)cyclohexa-1,3-dien-1-yl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 163603240
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-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-fluorobenzamide
CID 176699508
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 71138481
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
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-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-cyano-5-fluoro-1,3-benzothiazole-7-carboxamide
CID 171496018

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1ncccc1-c1nc2ccc(-c3ccco3)nc2n1C1=CC=C(CNC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 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?
The InChIKey is DHOQQMAKUHCDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O2/c30-20-5-1-4-19(16-20)29(37)33-17-18-8-10-21(11-9-18)36-27(22-6-2-14-32-26(22)31)35-24-13-12-23(34-28(24)36)25-7-3-15-38-25/h1-8,10,12-16H,9,11,17H2,(H2,31,32)(H,33,37).
What are the key properties of 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?
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 has a molecular weight of 506.54 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123793365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).