(3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide

C29H37N7O4 — CID 134496976

About (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide

(3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide (PubChem CID 134496976) has the molecular formula C29H37N7O4 and a molecular weight of 547.66 g/mol. Its IUPAC name is (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide.

Molecular Properties

• Compound Name: (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide
• PubChem CID: 134496976
• Molecular Formula: C29H37N7O4
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.29
• IUPAC Name: (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(NC(=O)C[C@@H](C)O)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H37N7O4/c1-3-40-24-15-25(28-23(16-30)18-32-36(28)19-24)22-4-5-26(31-17-22)35-8-6-29(7-9-35,33-27(38)14-21(2)37)20-34-10-12-39-13-11-34/h4-5,15,17-19,21,37H,3,6-14,20H2,1-2H3,(H,33,38)/t21-/m1/s1
• InChIKey: IFPSWMIQLHNYFV-OAQYLSRUSA-N
• XLogP: 2.22
• TPSA: 128.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide?

The IUPAC name of (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide (CID 134496976) is (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide.

What is the SMILES notation for (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide?

The canonical SMILES for (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide is CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(NC(=O)C[C@@H](C)O)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide?

The InChIKey is IFPSWMIQLHNYFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H37N7O4/c1-3-40-24-15-25(28-23(16-30)18-32-36(28)19-24)22-4-5-26(31-17-22)35-8-6-29(7-9-35,33-27(38)14-21(2)37)20-34-10-12-39-13-11-34/h4-5,15,17-19,21,37H,3,6-14,20H2,1-2H3,(H,33,38)/t21-/m1/s1.

What are the key properties of (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide?

(3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide has a molecular weight of 547.66 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3-hydroxybutanamide is sourced from PubChem (CID 134496976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).