N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide

C28H21ClN4O3 — CID 160665096

IUPACN-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccc(C)cc4)c(Cl)c3)c3cnccc32)c1
InChIInChI=1S/C28H21ClN4O3/c1-3-27(34)31-19-5-4-6-20(15-19)32-24-13-14-30-17-25(24)33(28(32)35)21-9-12-26(23(29)16-21)36-22-10-7-18(2)8-11-22/h3-17H,1H2,2H3,(H,31,34)
InChIKeyNWANEOQRATZXFS-UHFFFAOYSA-N
MW496.95 g/mol
LogP6.06
Rot. Bonds6

About N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide

N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 160665096) has the molecular formula C28H21ClN4O3 and a molecular weight of 496.95 g/mol. Its IUPAC name is N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
PubChem CID160665096
Molecular FormulaC28H21ClN4O3
Molecular Weight496.95 g/mol
Exact Mass496.13
IUPAC NameN-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccc(C)cc4)c(Cl)c3)c3cnccc32)c1
InChIInChI=1S/C28H21ClN4O3/c1-3-27(34)31-19-5-4-6-20(15-19)32-24-13-14-30-17-25(24)33(28(32)35)21-9-12-26(23(29)16-21)36-22-10-7-18(2)8-11-22/h3-17H,1H2,2H3,(H,31,34)
InChIKeyNWANEOQRATZXFS-UHFFFAOYSA-N
XLogP6.06
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide 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

3-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]-1-[3-(1-hydroxyprop-2-enylamino)phenyl]imidazo[4,5-c]pyridin-2-one
CID 167131554
3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[3-(1-hydroxyprop-2-enylamino)phenyl]imidazo[4,5-c]pyridin-2-one
CID 167131454
N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 161359526
N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 159307756
3-(3-chloro-4-phenylmethoxyphenyl)-1-[3-(1-hydroxyprop-2-enylamino)phenyl]imidazo[4,5-c]pyridin-2-one
CID 167131509
3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[4-(3-methoxyphenoxy)-3-methylphenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
CID 162263263
3-[3-chloro-4-(4-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129031912
3-(3-chloro-4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129031940
N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
CID 145296036
3-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129032162
3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129032107
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (CID 160665096) is N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccc(C)cc4)c(Cl)c3)c3cnccc32)c1.
What is the InChIKey of N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
The InChIKey is NWANEOQRATZXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O3/c1-3-27(34)31-19-5-4-6-20(15-19)32-24-13-14-30-17-25(24)33(28(32)35)21-9-12-26(23(29)16-21)36-22-10-7-18(2)8-11-22/h3-17H,1H2,2H3,(H,31,34).
What are the key properties of N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 496.95 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 160665096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).