5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C25H35F3N6 — CID 123239557

About 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 123239557) has the molecular formula C25H35F3N6 and a molecular weight of 476.59 g/mol. Its IUPAC name is 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 123239557
• Molecular Formula: C25H35F3N6
• Molecular Weight: 476.59 g/mol
• Exact Mass: 476.29
• IUPAC Name: 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: CCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1C2CC(N3CCN(C)CC3C)CC21
• InChI: InChI=1S/C25H35F3N6/c1-5-14(2)34-22(11-21(31-34)16-8-20(25(26,27)28)24(29)30-12-16)23-18-9-17(10-19(18)23)33-7-6-32(4)13-15(33)3/h8,11-12,14-15,17-19,23H,5-7,9-10,13H2,1-4H3,(H2,29,30)
• InChIKey: IDNVAUQXBFMNFN-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 63.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 123239557) is 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1C2CC(N3CCN(C)CC3C)CC21.

What is the InChIKey of 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is IDNVAUQXBFMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N6/c1-5-14(2)34-22(11-21(31-34)16-8-20(25(26,27)28)24(29)30-12-16)23-18-9-17(10-19(18)23)33-7-6-32(4)13-15(33)3/h8,11-12,14-15,17-19,23H,5-7,9-10,13H2,1-4H3,(H2,29,30).

What are the key properties of 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 476.59 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 123239557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).