5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide

C17H20N4OS — CID 53143768

IUPAC5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2nc3cccnc3n2C(C)C)s1
InChIInChI=1S/C17H20N4OS/c1-11(2)21-15(20-13-5-4-9-18-16(13)21)8-10-19-17(22)14-7-6-12(3)23-14/h4-7,9,11H,8,10H2,1-3H3,(H,19,22)
InChIKeyCSTJYKLNDKYCGY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.35
Rot. Bonds5

About 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide

5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 53143768) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID53143768
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2nc3cccnc3n2C(C)C)s1
InChIInChI=1S/C17H20N4OS/c1-11(2)21-15(20-13-5-4-9-18-16(13)21)8-10-19-17(22)14-7-6-12(3)23-14/h4-7,9,11H,8,10H2,1-3H3,(H,19,22)
InChIKeyCSTJYKLNDKYCGY-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-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

N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexanecarboxamide
CID 53143762
5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 18734202
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-3-carboxamide
CID 53143755
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)pentan-2-amine
CID 82846873
2-fluoro-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 53143732
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
CID 79295243
2-methoxy-N-[2-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]benzamide
CID 50843507
N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 83272991
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18109519
2-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 98023074
2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 122150093
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide (CID 53143768) is 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCCc2nc3cccnc3n2C(C)C)s1.
What is the InChIKey of 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CSTJYKLNDKYCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11(2)21-15(20-13-5-4-9-18-16(13)21)8-10-19-17(22)14-7-6-12(3)23-14/h4-7,9,11H,8,10H2,1-3H3,(H,19,22).
What are the key properties of 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 53143768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).