5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C24H30F3N5O2 — CID 123405318

About 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 123405318) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 123405318
• Molecular Formula: C24H30F3N5O2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.24
• IUPAC Name: 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3CC4(CCCO4)C3)CC21
• InChI: InChI=1S/C24H30F3N5O2/c1-13(2)32-19(9-18(30-32)14-6-20(22(28)29-10-14)34-24(25,26)27)21-16-7-15(8-17(16)21)31-11-23(12-31)4-3-5-33-23/h6,9-10,13,15-17,21H,3-5,7-8,11-12H2,1-2H3,(H2,28,29)
• InChIKey: KSTADLYBJFYSGR-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• 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-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 123405318) is 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3CC4(CCCO4)C3)CC21.

What is the InChIKey of 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is KSTADLYBJFYSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-13(2)32-19(9-18(30-32)14-6-20(22(28)29-10-14)34-24(25,26)27)21-16-7-15(8-17(16)21)31-11-23(12-31)4-3-5-33-23/h6,9-10,13,15-17,21H,3-5,7-8,11-12H2,1-2H3,(H2,28,29).

What are the key properties of 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 477.53 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123405318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).