ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

C27H32F6N6O2 — CID 165129744

About ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129744) has the molecular formula C27H32F6N6O2 and a molecular weight of 586.58 g/mol. Its IUPAC name is ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 165129744
• Molecular Formula: C27H32F6N6O2
• Molecular Weight: 586.58 g/mol
• Exact Mass: 586.25
• IUPAC Name: ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
• SMILES: CC.CC(n1cc(-c2cccc(C(=O)Nc3cc(N4CCC(C(C)(C)O)C4)cnc3C(F)(F)F)n2)cn1)C(F)(F)F
• InChI: InChI=1S/C25H26F6N6O2.C2H6/c1-14(24(26,27)28)37-12-15(10-33-37)18-5-4-6-19(34-18)22(38)35-20-9-17(11-32-21(20)25(29,30)31)36-8-7-16(13-36)23(2,3)39;1-2/h4-6,9-12,14,16,39H,7-8,13H2,1-3H3,(H,35,38);1-2H3
• InChIKey: JBZIWZLFSVQBJY-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.58
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129744) is ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is CC.CC(n1cc(-c2cccc(C(=O)Nc3cc(N4CCC(C(C)(C)O)C4)cnc3C(F)(F)F)n2)cn1)C(F)(F)F.

What is the InChIKey of ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is JBZIWZLFSVQBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N6O2.C2H6/c1-14(24(26,27)28)37-12-15(10-33-37)18-5-4-6-19(34-18)22(38)35-20-9-17(11-32-21(20)25(29,30)31)36-8-7-16(13-36)23(2,3)39;1-2/h4-6,9-12,14,16,39H,7-8,13H2,1-3H3,(H,35,38);1-2H3.

What are the key properties of ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?

ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 586.58 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[5-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).