1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one

C38H41N7O4 — CID 59292723

IUPAC1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
SMILESCOc1ccc(-c2cc(Cn3c(C(=O)N4CCNCC4)c(-c4ccccc4)n(C4CCCCC4)c3=O)cc(-c3ccc(OC)nc3)n2)cn1
InChIInChI=1S/C38H41N7O4/c1-48-33-15-13-28(23-40-33)31-21-26(22-32(42-31)29-14-16-34(49-2)41-24-29)25-44-36(37(46)43-19-17-39-18-20-43)35(27-9-5-3-6-10-27)45(38(44)47)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21-24,30,39H,4,7-8,11-12,17-20,25H2,1-2H3
InChIKeyXEVGBEHFGQEIKH-UHFFFAOYSA-N
MW659.79 g/mol
LogP5.45
Rot. Bonds9

About 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one

1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one (PubChem CID 59292723) has the molecular formula C38H41N7O4 and a molecular weight of 659.79 g/mol. Its IUPAC name is 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one.

Molecular Properties

Compound Name1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
PubChem CID59292723
Molecular FormulaC38H41N7O4
Molecular Weight659.79 g/mol
Exact Mass659.32
IUPAC Name1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
SMILESCOc1ccc(-c2cc(Cn3c(C(=O)N4CCNCC4)c(-c4ccccc4)n(C4CCCCC4)c3=O)cc(-c3ccc(OC)nc3)n2)cn1
InChIInChI=1S/C38H41N7O4/c1-48-33-15-13-28(23-40-33)31-21-26(22-32(42-31)29-14-16-34(49-2)41-24-29)25-44-36(37(46)43-19-17-39-18-20-43)35(27-9-5-3-6-10-27)45(38(44)47)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21-24,30,39H,4,7-8,11-12,17-20,25H2,1-2H3
InChIKeyXEVGBEHFGQEIKH-UHFFFAOYSA-N
XLogP5.45
TPSA116.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[8-(6-Methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
CID 45109832
1-(3-Methoxy-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-urea
CID 44401821
4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
CID 58379499
1-[1-[2-(Dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379539
9-(6-methoxy-3-pyridinyl)-3-methyl-1-piperidin-4-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 60142905
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-(2-piperazin-1-ylethyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 67348760
1-[(S)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]-3-(4-methoxyphenyl)urea
CID 166633731
(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 171625851
(2R,6R)-N-[[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methyl]-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 171625932
(2R,6R)-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-N-[[4-(6-methoxy-5-methyl-2-pyridinyl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 171625946
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]imidazolidin-2-one
CID 166637171
(E)-N-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 13957026

Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The IUPAC name of 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one (CID 59292723) is 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one.
What is the SMILES notation for 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The canonical SMILES for 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one is COc1ccc(-c2cc(Cn3c(C(=O)N4CCNCC4)c(-c4ccccc4)n(C4CCCCC4)c3=O)cc(-c3ccc(OC)nc3)n2)cn1.
What is the InChIKey of 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
The InChIKey is XEVGBEHFGQEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N7O4/c1-48-33-15-13-28(23-40-33)31-21-26(22-32(42-31)29-14-16-34(49-2)41-24-29)25-44-36(37(46)43-19-17-39-18-20-43)35(27-9-5-3-6-10-27)45(38(44)47)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21-24,30,39H,4,7-8,11-12,17-20,25H2,1-2H3.
What are the key properties of 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one?
1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one has a molecular weight of 659.79 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one is sourced from PubChem (CID 59292723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).