4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C17H24N4OS — CID 137345564

IUPAC4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCSCCN1CCC(NC(=O)c2cnn3cccc(C)c23)CC1
InChIInChI=1S/C17H24N4OS/c1-13-4-3-7-21-16(13)15(12-18-21)17(22)19-14-5-8-20(9-6-14)10-11-23-2/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,19,22)
InChIKeyCIRPUKIUJYUWEA-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.20
Rot. Bonds5

About 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137345564) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID137345564
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCSCCN1CCC(NC(=O)c2cnn3cccc(C)c23)CC1
InChIInChI=1S/C17H24N4OS/c1-13-4-3-7-21-16(13)15(12-18-21)17(22)19-14-5-8-20(9-6-14)10-11-23-2/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,19,22)
InChIKeyCIRPUKIUJYUWEA-UHFFFAOYSA-N
XLogP2.20
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137345564) is 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CSCCN1CCC(NC(=O)c2cnn3cccc(C)c23)CC1.
What is the InChIKey of 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CIRPUKIUJYUWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-4-3-7-21-16(13)15(12-18-21)17(22)19-14-5-8-20(9-6-14)10-11-23-2/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,19,22).
What are the key properties of 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137345564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).