3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C22H26N4O2 — CID 95097052

IUPAC3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC(C)Cn1c(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)nc2cccnc21
InChIInChI=1S/C22H26N4O2/c1-15(2)14-26-20(25-19-9-4-10-23-21(19)26)16-6-3-7-17(12-16)22(27)24-13-18-8-5-11-28-18/h3-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyHKZBIFHSGRBOPI-SFHVURJKSA-N
MW378.48 g/mol
LogP3.66
Rot. Bonds6

About 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 95097052) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID95097052
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCC(C)Cn1c(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)nc2cccnc21
InChIInChI=1S/C22H26N4O2/c1-15(2)14-26-20(25-19-9-4-10-23-21(19)26)16-6-3-7-17(12-16)22(27)24-13-18-8-5-11-28-18/h3-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyHKZBIFHSGRBOPI-SFHVURJKSA-N
XLogP3.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 20908458
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166729
N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 95097061
3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 53149051
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149042
4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92742225
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 95097052) is 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CC(C)Cn1c(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)nc2cccnc21.
What is the InChIKey of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is HKZBIFHSGRBOPI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)14-26-20(25-19-9-4-10-23-21(19)26)16-6-3-7-17(12-16)22(27)24-13-18-8-5-11-28-18/h3-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1.
What are the key properties of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 95097052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).