4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H26FN7S — CID 171848477

About 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848477) has the molecular formula C25H26FN7S and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848477
• Molecular Formula: C25H26FN7S
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.20
• IUPAC Name: 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1cc(F)c(Sc2cc(-c3cnn(C4CCN(C)CC4)c3C)cn3ncc(C#N)c23)nc1C
• InChI: InChI=1S/C25H26FN7S/c1-15-9-22(26)25(30-16(15)2)34-23-10-18(14-32-24(23)19(11-27)12-28-32)21-13-29-33(17(21)3)20-5-7-31(4)8-6-20/h9-10,12-14,20H,5-8H2,1-4H3
• InChIKey: YXNRZXDQAXBHCP-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 75.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848477) is 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cc(F)c(Sc2cc(-c3cnn(C4CCN(C)CC4)c3C)cn3ncc(C#N)c23)nc1C.

What is the InChIKey of 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is YXNRZXDQAXBHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7S/c1-15-9-22(26)25(30-16(15)2)34-23-10-18(14-32-24(23)19(11-27)12-28-32)21-13-29-33(17(21)3)20-5-7-31(4)8-6-20/h9-10,12-14,20H,5-8H2,1-4H3.

What are the key properties of 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 475.60 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).