3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one

C83H73ClN12O9 — CID 158668914

About 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one

3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 158668914) has the molecular formula C83H73ClN12O9 and a molecular weight of 1418.02 g/mol. Its IUPAC name is 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 158668914
• Molecular Formula: C83H73ClN12O9
• Molecular Weight: 1418.02 g/mol
• Exact Mass: 1416.53
• IUPAC Name: 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
• SMILES: C=CC(=O)N1CCCC1Cn1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2cnccc21.C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)C1.O=C(/C=C/c1ccccc1)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)c(Cl)c3)c3cnccc32)C1
• InChI: InChI=1S/C31H25ClN4O3.2C26H24N4O3/c32-26-19-23(12-13-29(26)39-25-9-5-2-6-10-25)35-28-20-33-17-15-27(28)36(31(35)38)24-16-18-34(21-24)30(37)14-11-22-7-3-1-4-8-22;1-2-25(31)28-16-6-7-20(28)18-29-23-14-15-27-17-24(23)30(26(29)32)19-10-12-22(13-11-19)33-21-8-4-3-5-9-21;1-2-25(31)28-16-6-7-20(18-28)30-23-14-15-27-17-24(23)29(26(30)32)19-10-12-22(13-11-19)33-21-8-4-3-5-9-21/h1-15,17,19-20,24H,16,18,21H2;2*2-5,8-15,17,20H,1,6-7,16,18H2/b14-11+;;/t24-;;20-/m1.1/s1
• InChIKey: IDSBZWUHEWLTFJ-IVXDDXSNSA-N
• XLogP: 14.61
• TPSA: 208.08 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1418.02
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one (CID 158668914) is 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCCC1Cn1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2cnccc21.C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)C1.O=C(/C=C/c1ccccc1)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)c(Cl)c3)c3cnccc32)C1.

What is the InChIKey of 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one?

The InChIKey is IDSBZWUHEWLTFJ-IVXDDXSNSA-N. The full InChI is InChI=1S/C31H25ClN4O3.2C26H24N4O3/c32-26-19-23(12-13-29(26)39-25-9-5-2-6-10-25)35-28-20-33-17-15-27(28)36(31(35)38)24-16-18-34(21-24)30(37)14-11-22-7-3-1-4-8-22;1-2-25(31)28-16-6-7-20(28)18-29-23-14-15-27-17-24(23)30(26(29)32)19-10-12-22(13-11-19)33-21-8-4-3-5-9-21;1-2-25(31)28-16-6-7-20(18-28)30-23-14-15-27-17-24(23)29(26(30)32)19-10-12-22(13-11-19)33-21-8-4-3-5-9-21/h1-15,17,19-20,24H,16,18,21H2;2*2-5,8-15,17,20H,1,6-7,16,18H2/b14-11+;;/t24-;;20-/m1.1/s1.

What are the key properties of 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one?

3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1418.02 g/mol, XLogP of 14.61, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-phenoxyphenyl)-1-[(3R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpyrrolidin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 158668914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).