2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide

C26H25F3N8O2 — CID 91115908

About 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide

2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 91115908) has the molecular formula C26H25F3N8O2 and a molecular weight of 538.53 g/mol. Its IUPAC name is 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 91115908
• Molecular Formula: C26H25F3N8O2
• Molecular Weight: 538.53 g/mol
• Exact Mass: 538.21
• IUPAC Name: 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
• SMILES: CCN(c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)N1CCOCC1
• InChI: InChI=1S/C26H25F3N8O2/c1-2-36(35-11-13-39-14-12-35)24-20(6-4-10-31-24)25(38)33-19-7-8-23(32-17-19)37-22(26(27,28)29)15-21(34-37)18-5-3-9-30-16-18/h3-10,15-17H,2,11-14H2,1H3,(H,33,38)
• InChIKey: KDZUOZNZQQTBAL-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 101.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.53
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 91115908) is 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide is CCN(c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)N1CCOCC1.

What is the InChIKey of 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?

The InChIKey is KDZUOZNZQQTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8O2/c1-2-36(35-11-13-39-14-12-35)24-20(6-4-10-31-24)25(38)33-19-7-8-23(32-17-19)37-22(26(27,28)29)15-21(34-37)18-5-3-9-30-16-18/h3-10,15-17H,2,11-14H2,1H3,(H,33,38).

What are the key properties of 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?

2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 538.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 91115908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).