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

C28H32F3N7O3 — CID 134435509

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide (PubChem CID 134435509) has the molecular formula C28H32F3N7O3 and a molecular weight of 571.60 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide
• PubChem CID: 134435509
• Molecular Formula: C28H32F3N7O3
• Molecular Weight: 571.60 g/mol
• Exact Mass: 571.25
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(NC(=O)CC(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C28H32F3N7O3/c1-2-41-22-13-23(26-21(15-32)17-34-38(26)18-22)20-3-4-24(33-16-20)37-7-5-27(6-8-37,19-36-9-11-40-12-10-36)35-25(39)14-28(29,30)31/h3-4,13,16-18H,2,5-12,14,19H2,1H3,(H,35,39)
• InChIKey: CMBDPWTUCRRLKL-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 108.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.60
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide (CID 134435509) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide.

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

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

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

The InChIKey is CMBDPWTUCRRLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N7O3/c1-2-41-22-13-23(26-21(15-32)17-34-38(26)18-22)20-3-4-24(33-16-20)37-7-5-27(6-8-37,19-36-9-11-40-12-10-36)35-25(39)14-28(29,30)31/h3-4,13,16-18H,2,5-12,14,19H2,1H3,(H,35,39).

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide has a molecular weight of 571.60 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 134435509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).