5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C24H30F3N5O2 — CID 123351670

About 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 123351670) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 123351670
• Molecular Formula: C24H30F3N5O2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.24
• IUPAC Name: 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: CCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3CC4CC3CO4)CC21
• InChI: InChI=1S/C24H30F3N5O2/c1-3-12(2)32-20(8-19(30-32)13-4-21(23(28)29-9-13)34-24(25,26)27)22-17-6-14(7-18(17)22)31-10-16-5-15(31)11-33-16/h4,8-9,12,14-18,22H,3,5-7,10-11H2,1-2H3,(H2,28,29)
• InChIKey: PILOTIKTONHFFJ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 123351670) is 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3CC4CC3CO4)CC21.

What is the InChIKey of 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is PILOTIKTONHFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-3-12(2)32-20(8-19(30-32)13-4-21(23(28)29-9-13)34-24(25,26)27)22-17-6-14(7-18(17)22)31-10-16-5-15(31)11-33-16/h4,8-9,12,14-18,22H,3,5-7,10-11H2,1-2H3,(H2,28,29).

What are the key properties of 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 477.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-butan-2-yl-5-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123351670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).