3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide

C27H27ClN8O2 — CID 134436378

About 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide

3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide (PubChem CID 134436378) has the molecular formula C27H27ClN8O2 and a molecular weight of 531.02 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 134436378
• Molecular Formula: C27H27ClN8O2
• Molecular Weight: 531.02 g/mol
• Exact Mass: 530.19
• IUPAC Name: 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide
• SMILES: CCOc1cc(-c2cnc(N3CCC(C)(NC(=O)c4nc(C)ccc4Cl)CC3)cn2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C27H27ClN8O2/c1-4-38-19-11-20(25-18(12-29)13-32-36(25)16-19)22-14-31-23(15-30-22)35-9-7-27(3,8-10-35)34-26(37)24-21(28)6-5-17(2)33-24/h5-6,11,13-16H,4,7-10H2,1-3H3,(H,34,37)
• InChIKey: JFGYIGXGHHTLAI-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 121.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.02
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide (CID 134436378) is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide is CCOc1cc(-c2cnc(N3CCC(C)(NC(=O)c4nc(C)ccc4Cl)CC3)cn2)c2c(C#N)cnn2c1.

What is the InChIKey of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is JFGYIGXGHHTLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN8O2/c1-4-38-19-11-20(25-18(12-29)13-32-36(25)16-19)22-14-31-23(15-30-22)35-9-7-27(3,8-10-35)34-26(37)24-21(28)6-5-17(2)33-24/h5-6,11,13-16H,4,7-10H2,1-3H3,(H,34,37).

What are the key properties of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide?

3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 531.02 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 134436378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).