3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile

C₈₁H₇₅N₁₃O₁₁ — CID 157487266

About 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile

3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 157487266) has the molecular formula C₈₁H₇₅N₁₃O₁₁ and a molecular weight of 1406.57 g/mol. Its IUPAC name is 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile
• PubChem CID: 157487266
• Molecular Formula: C₈₁H₇₅N₁₃O₁₁
• Molecular Weight: 1406.57 g/mol
• Exact Mass: 1405.57
• IUPAC Name: 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile
• SMILES: C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4OC)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4OC)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(C#N)nccc32)C1
• InChI: InChI=1S/C28H28N4O4.C27H26N4O4.C26H21N5O3/c1-4-26(33)30-16-6-8-21(18-30)32-23-14-15-29-17-24(23)31(28(32)34)20-10-12-22(13-11-20)36-25-9-5-7-19(2)27(25)35-3;1-4-25(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)35-24-7-5-6-18(2)26(24)34-3;1-2-24(32)29-15-13-19(17-29)30-23-12-14-28-22(16-27)25(23)31(26(30)33)18-8-10-21(11-9-18)34-20-6-4-3-5-7-20/h4-5,7,9-15,17,21H,1,6,8,16,18H2,2-3H3;4-12,14,16,20H,1,13,15,17H2,2-3H3;2-12,14,19H,1,13,15,17H2/t21-;20-;19-/m111/s1
• InChIKey: BWWABAMCPKGDKR-NYOATOQQSA-N
• XLogP: 12.71
• TPSA: 250.33 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.57
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile?

The IUPAC name of 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 157487266) is 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile.

What is the SMILES notation for 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile?

The canonical SMILES for 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile is C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4OC)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4OC)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(C#N)nccc32)C1.

What is the InChIKey of 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile?

The InChIKey is BWWABAMCPKGDKR-NYOATOQQSA-N. The full InChI is InChI=1S/C28H28N4O4.C27H26N4O4.C26H21N5O3/c1-4-26(33)30-16-6-8-21(18-30)32-23-14-15-29-17-24(23)31(28(32)34)20-10-12-22(13-11-20)36-25-9-5-7-19(2)27(25)35-3;1-4-25(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)35-24-7-5-6-18(2)26(24)34-3;1-2-24(32)29-15-13-19(17-29)30-23-12-14-28-22(16-27)25(23)31(26(30)33)18-8-10-21(11-9-18)34-20-6-4-3-5-7-20/h4-5,7,9-15,17,21H,1,6,8,16,18H2,2-3H3;4-12,14,16,20H,1,13,15,17H2,2-3H3;2-12,14,19H,1,13,15,17H2/t21-;20-;19-/m111/s1.

What are the key properties of 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile?

3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 1406.57 g/mol, XLogP of 12.71, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(2-methoxy-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;2-oxo-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 157487266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157487266 — identifiers, structure, computed properties (public domain)

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