4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H21N7S — CID 171848407

About 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848407) has the molecular formula C22H21N7S and a molecular weight of 415.53 g/mol. Its IUPAC name is 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171848407
• Molecular Formula: C22H21N7S
• Molecular Weight: 415.53 g/mol
• Exact Mass: 415.16
• IUPAC Name: 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1ccncc1Sc1cc(-c2cnn([C@@H]3CCCNC3)c2)cn2ncc(C#N)c12
• InChI: InChI=1S/C22H21N7S/c1-15-4-6-25-12-21(15)30-20-7-16(13-29-22(20)17(8-23)9-27-29)18-10-26-28(14-18)19-3-2-5-24-11-19/h4,6-7,9-10,12-14,19,24H,2-3,5,11H2,1H3/t19-/m1/s1
• InChIKey: ZLKLATGBPQTDBZ-LJQANCHMSA-N
• XLogP: 3.85
• TPSA: 83.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.53
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848407) is 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccncc1Sc1cc(-c2cnn([C@@H]3CCCNC3)c2)cn2ncc(C#N)c12.

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

The InChIKey is ZLKLATGBPQTDBZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N7S/c1-15-4-6-25-12-21(15)30-20-7-16(13-29-22(20)17(8-23)9-27-29)18-10-26-28(14-18)19-3-2-5-24-11-19/h4,6-7,9-10,12-14,19,24H,2-3,5,11H2,1H3/t19-/m1/s1.

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

4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 415.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).