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

C24H30N6O3 — CID 5191877

IUPACN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1cccc(N2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2C)c1
InChIInChI=1S/C24H30N6O3/c1-16-6-5-7-18(14-16)30-13-12-29(15-17(30)2)22(32)11-10-21(31)25-20-9-8-19-23(26-20)28(4)24(33)27(19)3/h5-9,14,17H,10-13,15H2,1-4H3,(H,25,26,31)
InChIKeyWKRFQLXELHYXGV-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.04
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 5191877) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID5191877
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1cccc(N2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2C)c1
InChIInChI=1S/C24H30N6O3/c1-16-6-5-7-18(14-16)30-13-12-29(15-17(30)2)22(32)11-10-21(31)25-20-9-8-19-23(26-20)28(4)24(33)27(19)3/h5-9,14,17H,10-13,15H2,1-4H3,(H,25,26,31)
InChIKeyWKRFQLXELHYXGV-UHFFFAOYSA-N
XLogP2.04
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide
CID 3719946
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
CID 3928074
N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
CID 3848501
(1R,2R,6S,7R)-4-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98177234
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 46295476
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
CID 46364973
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
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
(1R,2R,6S,7R)-4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98228796
1-methyl-3-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30442443

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of 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) is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide is Cc1cccc(N2CCN(C(=O)CCC(=O)Nc3ccc4c(n3)n(C)c(=O)n4C)CC2C)c1.
What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is WKRFQLXELHYXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16-6-5-7-18(14-16)30-13-12-29(15-17(30)2)22(32)11-10-21(31)25-20-9-8-19-23(26-20)28(4)24(33)27(19)3/h5-9,14,17H,10-13,15H2,1-4H3,(H,25,26,31).
What are the key properties of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide?
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 450.54 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 5191877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).