4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C21H21N5OS — CID 22582716

IUPAC4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)n1
InChIInChI=1S/C21H21N5OS/c1-15-14-28-21(23-15)25-19(27)11-5-10-18-24-17-9-6-12-22-20(17)26(18)13-16-7-3-2-4-8-16/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,25,27)
InChIKeyKOTFXIPTQSRVOQ-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.21
Rot. Bonds7

About 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide

4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 22582716) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID22582716
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)n1
InChIInChI=1S/C21H21N5OS/c1-15-14-28-21(23-15)25-19(27)11-5-10-18-24-17-9-6-12-22-20(17)26(18)13-16-7-3-2-4-8-16/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,25,27)
InChIKeyKOTFXIPTQSRVOQ-UHFFFAOYSA-N
XLogP4.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 46344277
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360187
N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360195
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867634
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 46360033
N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360158

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 22582716) is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)n1.
What is the InChIKey of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KOTFXIPTQSRVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-15-14-28-21(23-15)25-19(27)11-5-10-18-24-17-9-6-12-22-20(17)26(18)13-16-7-3-2-4-8-16/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,25,27).
What are the key properties of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 391.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 22582716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).