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

C27H37N5O2 — CID 71117105

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NC(=O)Cc4ccccn4)C3)nc21
InChIInChI=1S/C27H37N5O2/c1-26(2,3)17-32-21-11-10-20(29-24(21)31(6)25(32)34)18-12-13-27(4,5)22(15-18)30-23(33)16-19-9-7-8-14-28-19/h7-11,14,18,22H,12-13,15-17H2,1-6H3,(H,30,33)
InChIKeyZZQONWBTKAWWBB-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.20
Rot. Bonds5

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

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide (PubChem CID 71117105) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 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-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide
PubChem CID71117105
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NC(=O)Cc4ccccn4)C3)nc21
InChIInChI=1S/C27H37N5O2/c1-26(2,3)17-32-21-11-10-20(29-24(21)31(6)25(32)34)18-12-13-27(4,5)22(15-18)30-23(33)16-19-9-7-8-14-28-19/h7-11,14,18,22H,12-13,15-17H2,1-6H3,(H,30,33)
InChIKeyZZQONWBTKAWWBB-UHFFFAOYSA-N
XLogP4.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3-methylpyrazol-1-yl)acetamide
CID 71116838
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]-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
1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide
CID 135220806
1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
CID 71136197
tert-butyl N-[(3R)-1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]carbamate
CID 51037340
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide
CID 135233513
N-[5-[7-(2,2-dimethylpropyl)-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 123851600
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide
CID 135233552
2-cyano-N-[5-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
CID 135233555

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-pyridin-2-ylacetamide?
The IUPAC name of 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) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide.
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-pyridin-2-ylacetamide?
The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(NC(=O)Cc4ccccn4)C3)nc21.
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-pyridin-2-ylacetamide?
The InChIKey is ZZQONWBTKAWWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-26(2,3)17-32-21-11-10-20(29-24(21)31(6)25(32)34)18-12-13-27(4,5)22(15-18)30-23(33)16-19-9-7-8-14-28-19/h7-11,14,18,22H,12-13,15-17H2,1-6H3,(H,30,33).
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-pyridin-2-ylacetamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide has a molecular weight of 463.63 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyridin-2-ylacetamide is sourced from PubChem (CID 71117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).