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

C77H66N14O10 — CID 160694692

IUPACN-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccnn4)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccc(OC)c(C)c4)cc3)c3cnccc32)c1
InChIInChI=1S/C29H24N4O4.C25H22N4O3.C23H20N6O3/c1-4-28(34)31-20-6-5-7-22(17-20)33-25-14-15-30-18-26(25)32(29(33)35)21-8-10-23(11-9-21)37-24-12-13-27(36-3)19(2)16-24;1-2-24(30)27-15-13-19(17-27)29-22-12-14-26-16-23(22)28(25(29)31)18-8-10-21(11-9-18)32-20-6-4-3-5-7-20;1-2-22(30)27-13-10-17(15-27)29-19-9-12-24-14-20(19)28(23(29)31)16-5-7-18(8-6-16)32-21-4-3-11-25-26-21/h4-18H,1H2,2-3H3,(H,31,34);2-12,14,16,19H,1,13,15,17H2;2-9,11-12,14,17H,1,10,13,15H2
InChIKeyRPVRFCGDYGMYHL-UHFFFAOYSA-N
MW1347.46 g/mol
LogP12.08
Rot. Bonds17

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

N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 160694692) has the molecular formula C77H66N14O10 and a molecular weight of 1347.46 g/mol. Its IUPAC name is N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound NameN-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
PubChem CID160694692
Molecular FormulaC77H66N14O10
Molecular Weight1347.46 g/mol
Exact Mass1346.51
IUPAC NameN-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccnn4)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccc(OC)c(C)c4)cc3)c3cnccc32)c1
InChIInChI=1S/C29H24N4O4.C25H22N4O3.C23H20N6O3/c1-4-28(34)31-20-6-5-7-22(17-20)33-25-14-15-30-18-26(25)32(29(33)35)21-8-10-23(11-9-21)37-24-12-13-27(36-3)19(2)16-24;1-2-24(30)27-15-13-19(17-27)29-22-12-14-26-16-23(22)28(25(29)31)18-8-10-21(11-9-18)32-20-6-4-3-5-7-20;1-2-22(30)27-13-10-17(15-27)29-19-9-12-24-14-20(19)28(23(29)31)16-5-7-18(8-6-16)32-21-4-3-11-25-26-21/h4-18H,1H2,2-3H3,(H,31,34);2-12,14,16,19H,1,13,15,17H2;2-9,11-12,14,17H,1,10,13,15H2
InChIKeyRPVRFCGDYGMYHL-UHFFFAOYSA-N
XLogP12.08
TPSA251.88 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.46
LogP ≤ 512.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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

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Related Compounds

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CID 158694078
CID 158694078
CID 158777643
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CID 158942480
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CID 159307756
CID 159307756
CID 159762283
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CID 159889502
CID 159889502
CID 160066732
CID 160066732
CID 160188885
CID 160188885

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one (CID 160694692) is N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccnn4)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4ccc(OC)c(C)c4)cc3)c3cnccc32)c1.
What is the InChIKey of N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is RPVRFCGDYGMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4.C25H22N4O3.C23H20N6O3/c1-4-28(34)31-20-6-5-7-22(17-20)33-25-14-15-30-18-26(25)32(29(33)35)21-8-10-23(11-9-21)37-24-12-13-27(36-3)19(2)16-24;1-2-24(30)27-15-13-19(17-27)29-22-12-14-26-16-23(22)28(25(29)31)18-8-10-21(11-9-18)32-20-6-4-3-5-7-20;1-2-22(30)27-13-10-17(15-27)29-19-9-12-24-14-20(19)28(23(29)31)16-5-7-18(8-6-16)32-21-4-3-11-25-26-21/h4-18H,1H2,2-3H3,(H,31,34);2-12,14,16,19H,1,13,15,17H2;2-9,11-12,14,17H,1,10,13,15H2.
What are the key properties of N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 1347.46 g/mol, XLogP of 12.08, 17 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(4-methoxy-3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 160694692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).