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

C30H38N6O2 — CID 123851600

IUPACN-[5-[7-(2,2-dimethylpropyl)-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
SMILESCn1c(=O)[nH]c2c(CC(C)(C)C)cc(C3CCC(C)(C)C(NC(=O)c4cccc(-n5cccn5)c4)C3)nc21
InChIInChI=1S/C30H38N6O2/c1-29(2,3)18-21-16-23(32-26-25(21)34-28(38)35(26)6)19-11-12-30(4,5)24(17-19)33-27(37)20-9-7-10-22(15-20)36-14-8-13-31-36/h7-10,13-16,19,24H,11-12,17-18H2,1-6H3,(H,33,37)(H,34,38)
InChIKeyUWJASKXDYRDZCL-UHFFFAOYSA-N
MW514.67 g/mol
LogP5.13
Rot. Bonds5

About 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

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 (PubChem CID 123851600) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-[7-(2,2-dimethylpropyl)-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
PubChem CID123851600
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC NameN-[5-[7-(2,2-dimethylpropyl)-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
SMILESCn1c(=O)[nH]c2c(CC(C)(C)C)cc(C3CCC(C)(C)C(NC(=O)c4cccc(-n5cccn5)c4)C3)nc21
InChIInChI=1S/C30H38N6O2/c1-29(2,3)18-21-16-23(32-26-25(21)34-28(38)35(26)6)19-11-12-30(4,5)24(17-19)33-27(37)20-9-7-10-22(15-20)36-14-8-13-31-36/h7-10,13-16,19,24H,11-12,17-18H2,1-6H3,(H,33,37)(H,34,38)
InChIKeyUWJASKXDYRDZCL-UHFFFAOYSA-N
XLogP5.13
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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]-3-pyrazol-1-ylbenzamide
CID 71117061
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 122246324
N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]-3-pyrazol-1-ylbenzamide
CID 56915580
N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 96528372
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308
4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98641400
N-[6-(3-pyrazol-1-ylbenzoyl)-6-azaspiro[2.5]octan-2-yl]acetamide
CID 169419360
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide
CID 111479009
N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 95216055
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 135233732

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(=O)[nH]c2c(CC(C)(C)C)cc(C3CCC(C)(C)C(NC(=O)c4cccc(-n5cccn5)c4)C3)nc21.
What is the InChIKey of 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?
The InChIKey is UWJASKXDYRDZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-29(2,3)18-21-16-23(32-26-25(21)34-28(38)35(26)6)19-11-12-30(4,5)24(17-19)33-27(37)20-9-7-10-22(15-20)36-14-8-13-31-36/h7-10,13-16,19,24H,11-12,17-18H2,1-6H3,(H,33,37)(H,34,38).
What are the key properties of 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?
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 has a molecular weight of 514.67 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123851600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).