3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

C82H78F2N12O10 — CID 157224141

About 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 157224141) has the molecular formula C82H78F2N12O10 and a molecular weight of 1429.60 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 157224141
• Molecular Formula: C82H78F2N12O10
• Molecular Weight: 1429.60 g/mol
• Exact Mass: 1428.59
• IUPAC Name: 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
• SMILES: C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4C)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(CC)c4)c(F)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(OC(C)C)c4)c(F)c3)c3cnccc32)C1
• InChI: InChI=1S/C28H27FN4O4.C27H25FN4O3.C27H26N4O3/c1-4-27(34)31-13-11-20(17-31)33-24-10-12-30-16-25(24)32(28(33)35)19-8-9-26(23(29)14-19)37-22-7-5-6-21(15-22)36-18(2)3;1-3-18-6-5-7-21(14-18)35-25-9-8-19(15-22(25)28)31-24-16-29-12-10-23(24)32(27(31)34)20-11-13-30(17-20)26(33)4-2;1-4-26(32)29-15-13-21(17-29)31-23-12-14-28-16-24(23)30(27(31)33)20-8-10-22(11-9-20)34-25-7-5-6-18(2)19(25)3/h4-10,12,14-16,18,20H,1,11,13,17H2,2-3H3;4-10,12,14-16,20H,2-3,11,13,17H2,1H3;4-12,14,16,21H,1,13,15,17H2,2-3H3/t2*20-;21-/m111/s1
• InChIKey: ATIOFSIPGHAGCL-QUUXFIACSA-N
• XLogP: 14.06
• TPSA: 217.31 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.60
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 157224141) is 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4C)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(CC)c4)c(F)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(OC(C)C)c4)c(F)c3)c3cnccc32)C1.

What is the InChIKey of 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The InChIKey is ATIOFSIPGHAGCL-QUUXFIACSA-N. The full InChI is InChI=1S/C28H27FN4O4.C27H25FN4O3.C27H26N4O3/c1-4-27(34)31-13-11-20(17-31)33-24-10-12-30-16-25(24)32(28(33)35)19-8-9-26(23(29)14-19)37-22-7-5-6-21(15-22)36-18(2)3;1-3-18-6-5-7-21(14-18)35-25-9-8-19(15-22(25)28)31-24-16-29-12-10-23(24)32(27(31)34)20-11-13-30(17-20)26(33)4-2;1-4-26(32)29-15-13-21(17-29)31-23-12-14-28-16-24(23)30(27(31)33)20-8-10-22(11-9-20)34-25-7-5-6-18(2)19(25)3/h4-10,12,14-16,18,20H,1,11,13,17H2,2-3H3;4-10,12,14-16,20H,2-3,11,13,17H2,1H3;4-12,14,16,21H,1,13,15,17H2,2-3H3/t2*20-;21-/m111/s1.

What are the key properties of 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1429.60 g/mol, XLogP of 14.06, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,3-dimethylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethylphenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-propan-2-yloxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 157224141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).