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

C82H67FN12O9 — CID 158579143

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

3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 158579143) has the molecular formula C82H67FN12O9 and a molecular weight of 1383.51 g/mol. Its IUPAC name is 3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
• PubChem CID: 158579143
• Molecular Formula: C82H67FN12O9
• Molecular Weight: 1383.51 g/mol
• Exact Mass: 1382.51
• IUPAC Name: 3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(F)c3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3cccc(Oc4ccc(C)cc4)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3cccc(Oc4cccc(C)c4)c3)c3cnccc32)c1
• InChI: InChI=1S/2C28H22N4O3.C26H23FN4O3/c1-3-27(33)30-20-8-5-9-21(16-20)31-25-13-14-29-18-26(25)32(28(31)34)22-10-6-12-24(17-22)35-23-11-4-7-19(2)15-23;1-3-27(33)30-20-6-4-7-21(16-20)31-25-14-15-29-18-26(25)32(28(31)34)22-8-5-9-24(17-22)35-23-12-10-19(2)11-13-23;1-3-25(32)29-12-10-19(16-29)31-22-9-11-28-15-23(22)30(26(31)33)18-7-8-24(21(27)14-18)34-20-6-4-5-17(2)13-20/h2*3-18H,1H2,2H3,(H,30,33);3-9,11,13-15,19H,1,10,12,16H2,2H3/t;;19-/m..1/s1
• InChIKey: HTAMFEIWCBKXQH-JUHKBDANSA-N
• XLogP: 15.19
• TPSA: 225.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.51
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	2
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-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?

The IUPAC name of 3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (CID 158579143) is 3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

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

The canonical SMILES for 3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(F)c3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3cccc(Oc4ccc(C)cc4)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3cccc(Oc4cccc(C)c4)c3)c3cnccc32)c1.

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

The InChIKey is HTAMFEIWCBKXQH-JUHKBDANSA-N. The full InChI is InChI=1S/2C28H22N4O3.C26H23FN4O3/c1-3-27(33)30-20-8-5-9-21(16-20)31-25-13-14-29-18-26(25)32(28(31)34)22-10-6-12-24(17-22)35-23-11-4-7-19(2)15-23;1-3-27(33)30-20-6-4-7-21(16-20)31-25-14-15-29-18-26(25)32(28(31)34)22-8-5-9-24(17-22)35-23-12-10-19(2)11-13-23;1-3-25(32)29-12-10-19(16-29)31-22-9-11-28-15-23(22)30(26(31)33)18-7-8-24(21(27)14-18)34-20-6-4-5-17(2)13-20/h2*3-18H,1H2,2H3,(H,30,33);3-9,11,13-15,19H,1,10,12,16H2,2H3/t;;19-/m..1/s1.

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

3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 1383.51 g/mol, XLogP of 15.19, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[3-[3-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 158579143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).