6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H31FN8OS — CID 171847539

About 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847539) has the molecular formula C28H31FN8OS and a molecular weight of 546.68 g/mol. Its IUPAC name is 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171847539
• Molecular Formula: C28H31FN8OS
• Molecular Weight: 546.68 g/mol
• Exact Mass: 546.23
• IUPAC Name: 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1C1CCN(C(=O)C(C)(C)N(C)C)CC1
• InChI: InChI=1S/C28H31FN8OS/c1-18-22(16-33-37(18)21-8-11-35(12-9-21)27(38)28(2,3)34(4)5)19-13-24(39-26-23(29)7-6-10-31-26)25-20(14-30)15-32-36(25)17-19/h6-7,10,13,15-17,21H,8-9,11-12H2,1-5H3
• InChIKey: KYTQMLIPSLWQHJ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 95.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.68
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847539) is 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1C1CCN(C(=O)C(C)(C)N(C)C)CC1.

What is the InChIKey of 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is KYTQMLIPSLWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8OS/c1-18-22(16-33-37(18)21-8-11-35(12-9-21)27(38)28(2,3)34(4)5)19-13-24(39-26-23(29)7-6-10-31-26)25-20(14-30)15-32-36(25)17-19/h6-7,10,13,15-17,21H,8-9,11-12H2,1-5H3.

What are the key properties of 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 546.68 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).