N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide

C26H35N5O4S — CID 71117121

IUPACN-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)C2)c(C)c1
InChIInChI=1S/C26H35N5O4S/c1-17-14-20(27-18(2)32)9-12-23(17)36(34,35)30-13-7-8-19(15-30)21-10-11-22-24(28-21)29(6)25(33)31(22)16-26(3,4)5/h9-12,14,19H,7-8,13,15-16H2,1-6H3,(H,27,32)
InChIKeyPBYKZLYPPICFFW-UHFFFAOYSA-N
MW513.66 g/mol
LogP3.62
Rot. Bonds5

About N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide

N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide (PubChem CID 71117121) has the molecular formula C26H35N5O4S and a molecular weight of 513.66 g/mol. Its IUPAC name is N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide
PubChem CID71117121
Molecular FormulaC26H35N5O4S
Molecular Weight513.66 g/mol
Exact Mass513.24
IUPAC NameN-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)C2)c(C)c1
InChIInChI=1S/C26H35N5O4S/c1-17-14-20(27-18(2)32)9-12-23(17)36(34,35)30-13-7-8-19(15-30)21-10-11-22-24(28-21)29(6)25(33)31(22)16-26(3,4)5/h9-12,14,19H,7-8,13,15-16H2,1-6H3,(H,27,32)
InChIKeyPBYKZLYPPICFFW-UHFFFAOYSA-N
XLogP3.62
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
5-[1-[(5-chloro-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71116765
1-(2,2-dimethylpropyl)-3-methyl-5-[1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 71116918
1-(2,2-dimethylpropyl)-3-methyl-5-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 71116744
5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 123617562
N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122261147
N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide
CID 60777997
benzyl-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohexyl]carbamic acid
CID 135220791
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
N-[4-[(3S)-3-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124956301
N-[4-[(3R)-3-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124956302
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide (CID 71117121) is N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)C2)c(C)c1.
What is the InChIKey of N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The InChIKey is PBYKZLYPPICFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4S/c1-17-14-20(27-18(2)32)9-12-23(17)36(34,35)30-13-7-8-19(15-30)21-10-11-22-24(28-21)29(6)25(33)31(22)16-26(3,4)5/h9-12,14,19H,7-8,13,15-16H2,1-6H3,(H,27,32).
What are the key properties of N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide has a molecular weight of 513.66 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]sulfonyl-3-methylphenyl]acetamide is sourced from PubChem (CID 71117121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).