2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide

C26H24N6O4 — CID 174240251

IUPAC2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide
SMILESC=CC(=O)NC1CCN(c2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c3[nH]c(=O)[nH]c23)C1
InChIInChI=1S/C26H24N6O4/c1-2-19(33)28-16-12-13-32(14-16)25-23-22(30-26(35)31-23)20(24(27)34)21(29-25)15-8-10-18(11-9-15)36-17-6-4-3-5-7-17/h2-11,16H,1,12-14H2,(H2,27,34)(H,28,33)(H2,30,31,35)
InChIKeyMLIPSEHZDNDWIS-UHFFFAOYSA-N
MW484.52 g/mol
LogP2.69
Rot. Bonds7

About 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide

2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 174240251) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide
PubChem CID174240251
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide
SMILESC=CC(=O)NC1CCN(c2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c3[nH]c(=O)[nH]c23)C1
InChIInChI=1S/C26H24N6O4/c1-2-19(33)28-16-12-13-32(14-16)25-23-22(30-26(35)31-23)20(24(27)34)21(29-25)15-8-10-18(11-9-15)36-17-6-4-3-5-7-17/h2-11,16H,1,12-14H2,(H2,27,34)(H,28,33)(H2,30,31,35)
InChIKeyMLIPSEHZDNDWIS-UHFFFAOYSA-N
XLogP2.69
TPSA146.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide
CID 130294639
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-6-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide
CID 171718787
3-(4-phenoxyphenyl)-4-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]-1H-indole-7-carboxamide
CID 164897531
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
N-[4-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;ethane
CID 145119966
2,3-dioxo-5-[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]-1,4-dihydropyrido[3,4-b]pyrazine-8-carboxamide
CID 171718826
2-methyl-6-(4-phenoxyphenoxy)-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]-3H-pyridine-5-carboxamide
CID 153201797
N-[4-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide
CID 118651798
5-amino-1-(1-ethenylsulfonylpyrrolidin-3-yl)-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 129137329
5-(cyclopropylamino)-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 75204139
N-[3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclopentyl]prop-2-enamide
CID 78080160
N-[(1S)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclopentyl]prop-2-enamide
CID 129133289

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide (CID 174240251) is 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide is C=CC(=O)NC1CCN(c2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c3[nH]c(=O)[nH]c23)C1.
What is the InChIKey of 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is MLIPSEHZDNDWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-2-19(33)28-16-12-13-32(14-16)25-23-22(30-26(35)31-23)20(24(27)34)21(29-25)15-8-10-18(11-9-15)36-17-6-4-3-5-7-17/h2-11,16H,1,12-14H2,(H2,27,34)(H,28,33)(H2,30,31,35).
What are the key properties of 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide?
2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(4-phenoxyphenyl)-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 174240251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).