3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one

C16H17N5OS — CID 71999633

IUPAC3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(Sc3ncc4ccccn34)C2=O)cn1
InChIInChI=1S/C16H17N5OS/c1-19-11-13(10-18-19)20-8-4-6-14(15(20)22)23-16-17-9-12-5-2-3-7-21(12)16/h2-3,5,7,9-11,14H,4,6,8H2,1H3
InChIKeyGUCSMKCILFHOQZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.36
Rot. Bonds3

About 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 71999633) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID71999633
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(Sc3ncc4ccccn34)C2=O)cn1
InChIInChI=1S/C16H17N5OS/c1-19-11-13(10-18-19)20-8-4-6-14(15(20)22)23-16-17-9-12-5-2-3-7-21(12)16/h2-3,5,7,9-11,14H,4,6,8H2,1H3
InChIKeyGUCSMKCILFHOQZ-UHFFFAOYSA-N
XLogP2.36
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 71999633) is 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cn1cc(N2CCCC(Sc3ncc4ccccn34)C2=O)cn1.
What is the InChIKey of 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is GUCSMKCILFHOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-19-11-13(10-18-19)20-8-4-6-14(15(20)22)23-16-17-9-12-5-2-3-7-21(12)16/h2-3,5,7,9-11,14H,4,6,8H2,1H3.
What are the key properties of 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 327.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 71999633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).