N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

C₈₅H₇₂Cl₂N₁₂O₁₁ — CID 158814294

About N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 158814294) has the molecular formula C₈₅H₇₂Cl₂N₁₂O₁₁ and a molecular weight of 1508.49 g/mol. Its IUPAC name is N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
• PubChem CID: 158814294
• Molecular Formula: C₈₅H₇₂Cl₂N₁₂O₁₁
• Molecular Weight: 1508.49 g/mol
• Exact Mass: 1506.48
• IUPAC Name: N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
• SMILES: C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(OC)c4C)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(Cl)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(OC(C)C)c4)c(Cl)c3)c3cnccc32)c1
• InChI: InChI=1S/C30H25ClN4O4.C28H21ClN4O3.C27H26N4O4/c1-4-29(36)33-20-7-5-8-21(15-20)34-26-13-14-32-18-27(26)35(30(34)37)22-11-12-28(25(31)16-22)39-24-10-6-9-23(17-24)38-19(2)3;1-3-27(34)31-19-7-5-8-20(15-19)32-24-12-13-30-17-25(24)33(28(32)35)21-10-11-26(23(29)16-21)36-22-9-4-6-18(2)14-22;1-4-26(32)29-15-13-20(17-29)31-22-12-14-28-16-23(22)30(27(31)33)19-8-10-21(11-9-19)35-25-7-5-6-24(34-3)18(25)2/h4-19H,1H2,2-3H3,(H,33,36);3-17H,1H2,2H3,(H,31,34);4-12,14,16,20H,1,13,15,17H2,2-3H3
• InChIKey: IVBNLCFUJVROMW-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 244.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1508.49
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

The IUPAC name of N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (CID 158814294) is N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(OC)c4C)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(Cl)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(OC(C)C)c4)c(Cl)c3)c3cnccc32)c1.

What is the InChIKey of N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

The InChIKey is IVBNLCFUJVROMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN4O4.C28H21ClN4O3.C27H26N4O4/c1-4-29(36)33-20-7-5-8-21(15-20)34-26-13-14-32-18-27(26)35(30(34)37)22-11-12-28(25(31)16-22)39-24-10-6-9-23(17-24)38-19(2)3;1-3-27(34)31-19-7-5-8-20(15-19)32-24-12-13-30-17-25(24)33(28(32)35)21-10-11-26(23(29)16-21)36-22-9-4-6-18(2)14-22;1-4-26(32)29-15-13-20(17-29)31-22-12-14-28-16-23(22)30(27(31)33)19-8-10-21(11-9-19)35-25-7-5-6-24(34-3)18(25)2/h4-19H,1H2,2-3H3,(H,33,36);3-17H,1H2,2H3,(H,31,34);4-12,14,16,20H,1,13,15,17H2,2-3H3.

What are the key properties of N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 1508.49 g/mol, XLogP of 16.84, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-chloro-4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-chloro-4-(3-propan-2-yloxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-(3-methoxy-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 158814294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158814294 — identifiers, structure, computed properties (public domain)

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