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

C82H72F2N12O10 — CID 162263263

About 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

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 (PubChem CID 162263263) has the molecular formula C82H72F2N12O10 and a molecular weight of 1423.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162263263
• Molecular Formula: C82H72F2N12O10
• Molecular Weight: 1423.55 g/mol
• Exact Mass: 1422.55
• IUPAC Name: 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
• SMILES: C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(OC)c4)c(C)c3)c3cnccc32)c1
• InChI: InChI=1S/C29H24N4O4.C27H25FN4O3.C26H23FN4O3/c1-4-28(34)31-20-7-5-8-21(16-20)32-25-13-14-30-18-26(25)33(29(32)35)22-11-12-27(19(2)15-22)37-24-10-6-9-23(17-24)36-3;1-3-25(33)30-15-5-7-20(17-30)32-22-13-14-29-16-23(22)31(27(32)34)19-9-11-21(12-10-19)35-24-8-4-6-18(2)26(24)28;1-3-24(32)29-14-12-19(16-29)31-21-11-13-28-15-22(21)30(26(31)33)18-7-9-20(10-8-18)34-23-6-4-5-17(2)25(23)27/h4-18H,1H2,2-3H3,(H,31,34);3-4,6,8-14,16,20H,1,5,7,15,17H2,2H3;3-11,13,15,19H,1,12,14,16H2,2H3/t;20-;19-/m.11/s1
• InChIKey: ZZNWQLLKIGNLMG-YMJHNZTISA-N
• XLogP: 14.57
• TPSA: 226.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1423.55
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	1
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-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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(OC)c4)c(C)c3)c3cnccc32)c1.

What is the InChIKey of 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?

The InChIKey is ZZNWQLLKIGNLMG-YMJHNZTISA-N. The full InChI is InChI=1S/C29H24N4O4.C27H25FN4O3.C26H23FN4O3/c1-4-28(34)31-20-7-5-8-21(16-20)32-25-13-14-30-18-26(25)33(29(32)35)22-11-12-27(19(2)15-22)37-24-10-6-9-23(17-24)36-3;1-3-25(33)30-15-5-7-20(17-30)32-22-13-14-29-16-23(22)31(27(32)34)19-9-11-21(12-10-19)35-24-8-4-6-18(2)26(24)28;1-3-24(32)29-14-12-19(16-29)31-21-11-13-28-15-22(21)30(26(31)33)18-7-9-20(10-8-18)34-23-6-4-5-17(2)25(23)27/h4-18H,1H2,2-3H3,(H,31,34);3-4,6,8-14,16,20H,1,5,7,15,17H2,2H3;3-11,13,15,19H,1,12,14,16H2,2H3/t;20-;19-/m.11/s1.

What are the key properties of 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?

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 has a molecular weight of 1423.55 g/mol, XLogP of 14.57, 17 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162263263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).