2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide

C24H25FN6O3 — CID 122692569

IUPAC2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide
SMILESCOC1=NC=C(C)CC=C1Nc1cn(Cc2cccc(NC(=O)C(C)F)c2)c(=O)c2[nH]cnc12
InChIInChI=1S/C24H25FN6O3/c1-14-7-8-18(23(34-3)26-10-14)30-19-12-31(24(33)21-20(19)27-13-28-21)11-16-5-4-6-17(9-16)29-22(32)15(2)25/h4-6,8-10,12-13,15,30H,7,11H2,1-3H3,(H,27,28)(H,29,32)
InChIKeyZINHLYRTDGMAFY-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.72
Rot. Bonds6

About 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide

2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide (PubChem CID 122692569) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide
PubChem CID122692569
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide
SMILESCOC1=NC=C(C)CC=C1Nc1cn(Cc2cccc(NC(=O)C(C)F)c2)c(=O)c2[nH]cnc12
InChIInChI=1S/C24H25FN6O3/c1-14-7-8-18(23(34-3)26-10-14)30-19-12-31(24(33)21-20(19)27-13-28-21)11-16-5-4-6-17(9-16)29-22(32)15(2)25/h4-6,8-10,12-13,15,30H,7,11H2,1-3H3,(H,27,28)(H,29,32)
InChIKeyZINHLYRTDGMAFY-UHFFFAOYSA-N
XLogP3.72
TPSA113.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[3-(1-bicyclo[1.1.1]pentanyl)-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]prop-2-enamide;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-3-ethyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3H-imidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[4,5-c]pyridin-4-one;5-[3-(buta-1,3-dien-2-ylamino)phenyl]-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one
CID 159803412
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
2-[[3-[(3-methoxy-2-methylpropanoyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240630
2-methyl-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-3-methylsulfonylpropanamide
CID 84585604
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
CID 31663783
methyl (2S,3S)-2-methyl-3-[[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]carbamoylamino]-3-phenylpropanoate
CID 96533755
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide?
The IUPAC name of 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide (CID 122692569) is 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide.
What is the SMILES notation for 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide?
The canonical SMILES for 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide is COC1=NC=C(C)CC=C1Nc1cn(Cc2cccc(NC(=O)C(C)F)c2)c(=O)c2[nH]cnc12.
What is the InChIKey of 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide?
The InChIKey is ZINHLYRTDGMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-14-7-8-18(23(34-3)26-10-14)30-19-12-31(24(33)21-20(19)27-13-28-21)11-16-5-4-6-17(9-16)29-22(32)15(2)25/h4-6,8-10,12-13,15,30H,7,11H2,1-3H3,(H,27,28)(H,29,32).
What are the key properties of 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide?
2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide has a molecular weight of 464.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[[7-[(7-methoxy-3-methyl-4H-azepin-6-yl)amino]-4-oxo-3H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 122692569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).