ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide

C32H36F3N7O — CID 143484249

About ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide

ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide (PubChem CID 143484249) has the molecular formula C32H36F3N7O and a molecular weight of 591.68 g/mol. Its IUPAC name is ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide.

Molecular Properties

• Compound Name: ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide
• PubChem CID: 143484249
• Molecular Formula: C32H36F3N7O
• Molecular Weight: 591.68 g/mol
• Exact Mass: 591.29
• IUPAC Name: ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide
• SMILES: CC.CC.CCC.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(-c2cncnc2)c1
• InChI: InChI=1S/C25H16F3N7O.C3H8.2C2H6/c26-25(27,28)22-10-21(18-5-2-8-29-11-18)34-35(22)20-6-7-23(32-14-20)33-24(36)17-4-1-3-16(9-17)19-12-30-15-31-13-19;1-3-2;2*1-2/h1-15H,(H,32,33,36);3H2,1-2H3;2*1-2H3
• InChIKey: DREFMJWWGHPRIR-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.68
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide?

The IUPAC name of ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide (CID 143484249) is ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide.

What is the SMILES notation for ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide?

The canonical SMILES for ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide is CC.CC.CCC.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(-c2cncnc2)c1.

What is the InChIKey of ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide?

The InChIKey is DREFMJWWGHPRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N7O.C3H8.2C2H6/c26-25(27,28)22-10-21(18-5-2-8-29-11-18)34-35(22)20-6-7-23(32-14-20)33-24(36)17-4-1-3-16(9-17)19-12-30-15-31-13-19;1-3-2;2*1-2/h1-15H,(H,32,33,36);3H2,1-2H3;2*1-2H3.

What are the key properties of ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide?

ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide has a molecular weight of 591.68 g/mol, XLogP of 8.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;propane;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 143484249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).