N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide

C22H27N5O3 — CID 71117067

IUPACN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(NC(=O)c4ncco4)CC3)nc21
InChIInChI=1S/C22H27N5O3/c1-22(2,3)13-27-17-10-9-16(25-18(17)26(4)21(27)29)14-5-7-15(8-6-14)24-19(28)20-23-11-12-30-20/h5,9-12,15H,6-8,13H2,1-4H3,(H,24,28)
InChIKeyOXWIBGSGSUFZFL-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.13
Rot. Bonds4

About N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide

N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide (PubChem CID 71117067) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide
PubChem CID71117067
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(NC(=O)c4ncco4)CC3)nc21
InChIInChI=1S/C22H27N5O3/c1-22(2,3)13-27-17-10-9-16(25-18(17)26(4)21(27)29)14-5-7-15(8-6-14)24-19(28)20-23-11-12-30-20/h5,9-12,15H,6-8,13H2,1-4H3,(H,24,28)
InChIKeyOXWIBGSGSUFZFL-UHFFFAOYSA-N
XLogP3.13
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]carbamate
CID 71128770
3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
CID 135220748
5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 123617562
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
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
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
N-[2-(1,3-oxazole-2-carbonylamino)cyclohexyl]-1,3-oxazole-2-carboxamide
CID 171722538
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 54761745
1-(2,2-dimethylpropyl)-3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[4,5-b]pyridin-2-one
CID 54761226
N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide
CID 67056166
5-[2-(3,3-difluoro-2-hydroxy-2-methylpropanoyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71117416

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide (CID 71117067) is N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(NC(=O)c4ncco4)CC3)nc21.
What is the InChIKey of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide?
The InChIKey is OXWIBGSGSUFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-22(2,3)13-27-17-10-9-16(25-18(17)26(4)21(27)29)14-5-7-15(8-6-14)24-19(28)20-23-11-12-30-20/h5,9-12,15H,6-8,13H2,1-4H3,(H,24,28).
What are the key properties of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide?
N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 71117067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).