N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide

C27H36N6O3 — CID 5107241

IUPACN-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCN(Cc4ccc(C)cc4C)CC3)ccc21
InChIInChI=1S/C27H36N6O3/c1-5-32-22-9-10-23(29-26(22)33(6-2)27(32)36)28-24(34)11-12-25(35)31-15-13-30(14-16-31)18-21-8-7-19(3)17-20(21)4/h7-10,17H,5-6,11-16,18H2,1-4H3,(H,28,29,34)
InChIKeyXCUUTLXUQZROMI-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.92
Rot. Bonds8

About N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide

N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide (PubChem CID 5107241) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide
PubChem CID5107241
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC NameN-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide
SMILESCCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCN(Cc4ccc(C)cc4C)CC3)ccc21
InChIInChI=1S/C27H36N6O3/c1-5-32-22-9-10-23(29-26(22)33(6-2)27(32)36)28-24(34)11-12-25(35)31-15-13-30(14-16-31)18-21-8-7-19(3)17-20(21)4/h7-10,17H,5-6,11-16,18H2,1-4H3,(H,28,29,34)
InChIKeyXCUUTLXUQZROMI-UHFFFAOYSA-N
XLogP2.92
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 5169139
N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide
CID 5170214
N'-(2-chlorophenyl)-N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)butanediamide
CID 3959587
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 5191877
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
CID 4273533
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27852327
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 112806577
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide
CID 3435912
6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3639597
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide
CID 139010316
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide (CID 5107241) is N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide is CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCN(Cc4ccc(C)cc4C)CC3)ccc21.
What is the InChIKey of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
The InChIKey is XCUUTLXUQZROMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-5-32-22-9-10-23(29-26(22)33(6-2)27(32)36)28-24(34)11-12-25(35)31-15-13-30(14-16-31)18-21-8-7-19(3)17-20(21)4/h7-10,17H,5-6,11-16,18H2,1-4H3,(H,28,29,34).
What are the key properties of N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide?
N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide has a molecular weight of 492.62 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 5107241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).