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

C80H69FN12O9 — CID 161359526

IUPACN-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(C)c3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)c(C)c3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccccc4)c(F)c3)c3cnccc32)c1
InChIInChI=1S/C27H19FN4O3.C27H26N4O3.C26H24N4O3/c1-2-26(33)30-18-7-6-8-19(15-18)31-23-13-14-29-17-24(23)32(27(31)34)20-11-12-25(22(28)16-20)35-21-9-4-3-5-10-21;1-4-26(32)29-13-11-21(17-29)31-23-10-12-28-16-24(23)30(27(31)33)20-8-9-25(19(3)15-20)34-22-7-5-6-18(2)14-22;1-3-25(31)28-14-12-20(17-28)30-22-11-13-27-16-23(22)29(26(30)32)19-9-10-24(18(2)15-19)33-21-7-5-4-6-8-21/h2-17H,1H2,(H,30,33);4-10,12,14-16,21H,1,11,13,17H2,2-3H3;3-11,13,15-16,20H,1,12,14,17H2,2H3
InChIKeyVOZLDHIEJKAHOK-UHFFFAOYSA-N
MW1361.50 g/mol
LogP14.04
Rot. Bonds16

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

N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 161359526) has the molecular formula C80H69FN12O9 and a molecular weight of 1361.50 g/mol. Its IUPAC name is N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound NameN-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
PubChem CID161359526
Molecular FormulaC80H69FN12O9
Molecular Weight1361.50 g/mol
Exact Mass1360.53
IUPAC NameN-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(C)c3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)c(C)c3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccccc4)c(F)c3)c3cnccc32)c1
InChIInChI=1S/C27H19FN4O3.C27H26N4O3.C26H24N4O3/c1-2-26(33)30-18-7-6-8-19(15-18)31-23-13-14-29-17-24(23)32(27(31)34)20-11-12-25(22(28)16-20)35-21-9-4-3-5-10-21;1-4-26(32)29-13-11-21(17-29)31-23-10-12-28-16-24(23)30(27(31)33)20-8-9-25(19(3)15-20)34-22-7-5-6-18(2)14-22;1-3-25(31)28-14-12-20(17-28)30-22-11-13-27-16-23(22)29(26(30)32)19-9-10-24(18(2)15-19)33-21-7-5-4-6-8-21/h2-17H,1H2,(H,30,33);4-10,12,14-16,21H,1,11,13,17H2,2-3H3;3-11,13,15-16,20H,1,12,14,17H2,2H3
InChIKeyVOZLDHIEJKAHOK-UHFFFAOYSA-N
XLogP14.04
TPSA216.87 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.50
LogP ≤ 514.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Related Compounds

N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 159307756
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
3-[3-fluoro-4-(3-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129032038
3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129032107
3-(3-fluoro-4-phenylmethoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129052791
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
3-(3-chloro-4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129031940
3-[3-chloro-4-(4-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129031912
3-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129032162
3-[4-(3,4-dichlorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129051787
N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
CID 160665096
3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129031905

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (CID 161359526) is N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(C)c3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)c(C)c3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccccc4)c(F)c3)c3cnccc32)c1.
What is the InChIKey of N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is VOZLDHIEJKAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O3.C27H26N4O3.C26H24N4O3/c1-2-26(33)30-18-7-6-8-19(15-18)31-23-13-14-29-17-24(23)32(27(31)34)20-11-12-25(22(28)16-20)35-21-9-4-3-5-10-21;1-4-26(32)29-13-11-21(17-29)31-23-10-12-28-16-24(23)30(27(31)33)20-8-9-25(19(3)15-20)34-22-7-5-6-18(2)14-22;1-3-25(31)28-14-12-20(17-28)30-22-11-13-27-16-23(22)29(26(30)32)19-9-10-24(18(2)15-19)33-21-7-5-4-6-8-21/h2-17H,1H2,(H,30,33);4-10,12,14-16,21H,1,11,13,17H2,2-3H3;3-11,13,15-16,20H,1,12,14,17H2,2H3.
What are the key properties of N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 1361.50 g/mol, XLogP of 14.04, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluoro-4-phenoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[3-methyl-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-(3-methyl-4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 161359526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).