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

C30H36F3N7O3 — CID 134434872

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-4,4,4-trifluoro-3-methylbutanamide (PubChem CID 134434872) has the molecular formula C30H36F3N7O3 and a molecular weight of 599.66 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]-4,4,4-trifluoro-3-methylbutanamide.

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]-4,4,4-trifluoro-3-methylbutanamide
• PubChem CID: 134434872
• Molecular Formula: C30H36F3N7O3
• Molecular Weight: 599.66 g/mol
• Exact Mass: 599.28
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-4,4,4-trifluoro-3-methylbutanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(NC(=O)CC(C)C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C30H36F3N7O3/c1-3-43-24-15-25(28-23(16-34)18-36-40(28)19-24)22-4-5-26(35-17-22)39-8-6-29(7-9-39,20-38-10-12-42-13-11-38)37-27(41)14-21(2)30(31,32)33/h4-5,15,17-19,21H,3,6-14,20H2,1-2H3,(H,37,41)
• InChIKey: RXYPEECOOURQTP-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 108.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.66
LogP ≤ 5	4.04
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]-4,4,4-trifluoro-3-methylbutanamide?

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]-4,4,4-trifluoro-3-methylbutanamide (CID 134434872) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-4,4,4-trifluoro-3-methylbutanamide.

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]-4,4,4-trifluoro-3-methylbutanamide?

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]-4,4,4-trifluoro-3-methylbutanamide is CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(NC(=O)CC(C)C(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]-4,4,4-trifluoro-3-methylbutanamide?

The InChIKey is RXYPEECOOURQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N7O3/c1-3-43-24-15-25(28-23(16-34)18-36-40(28)19-24)22-4-5-26(35-17-22)39-8-6-29(7-9-39,20-38-10-12-42-13-11-38)37-27(41)14-21(2)30(31,32)33/h4-5,15,17-19,21H,3,6-14,20H2,1-2H3,(H,37,41).

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]-4,4,4-trifluoro-3-methylbutanamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-4,4,4-trifluoro-3-methylbutanamide has a molecular weight of 599.66 g/mol, XLogP of 4.04, 9 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]-4,4,4-trifluoro-3-methylbutanamide is sourced from PubChem (CID 134434872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).