N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide

C26H38N6O2 — CID 71116838

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)n1
InChIInChI=1S/C26H38N6O2/c1-17-11-13-31(29-17)15-22(33)28-21-14-18(10-12-26(21,5)6)19-8-9-20-23(27-19)30(7)24(34)32(20)16-25(2,3)4/h8-9,11,13,18,21H,10,12,14-16H2,1-7H3,(H,28,33)
InChIKeyBVWUJJWJOMQHEM-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.76
Rot. Bonds5

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

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 71116838) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID71116838
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)n1
InChIInChI=1S/C26H38N6O2/c1-17-11-13-31(29-17)15-22(33)28-21-14-18(10-12-26(21,5)6)19-8-9-20-23(27-19)30(7)24(34)32(20)16-25(2,3)4/h8-9,11,13,18,21H,10,12,14-16H2,1-7H3,(H,28,33)
InChIKeyBVWUJJWJOMQHEM-UHFFFAOYSA-N
XLogP3.76
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide with MolForge

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Related Compounds

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide
CID 71117105
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 71116975
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 71135242
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 71117061
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 71136217
N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide
CID 135220775
N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide
CID 135220737
2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
CID 123237908
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide
CID 135233513
benzyl-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohexyl]carbamic acid
CID 135220791
1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
CID 71136197

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 71116838) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NC2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)n1.
What is the InChIKey of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is BVWUJJWJOMQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-17-11-13-31(29-17)15-22(33)28-21-14-18(10-12-26(21,5)6)19-8-9-20-23(27-19)30(7)24(34)32(20)16-25(2,3)4/h8-9,11,13,18,21H,10,12,14-16H2,1-7H3,(H,28,33).
What are the key properties of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 466.63 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 71116838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).