5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

C25H35F2N5O2 — CID 123577726

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

5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123577726) has the molecular formula C25H35F2N5O2 and a molecular weight of 475.58 g/mol. Its IUPAC name is 5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
• PubChem CID: 123577726
• Molecular Formula: C25H35F2N5O2
• Molecular Weight: 475.58 g/mol
• Exact Mass: 475.28
• IUPAC Name: 5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
• SMILES: CCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3CCC(OC)CC3)CC21
• InChI: InChI=1S/C25H35F2N5O2/c1-4-14(2)32-21(12-20(30-32)15-9-22(34-25(26)27)24(28)29-13-15)23-18-10-16(11-19(18)23)31-7-5-17(33-3)6-8-31/h9,12-14,16-19,23,25H,4-8,10-11H2,1-3H3,(H2,28,29)
• InChIKey: BABFBULHVYRDLW-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.58
LogP ≤ 5	4.70
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-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123577726) is 5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

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

The canonical SMILES for 5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is CCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3CCC(OC)CC3)CC21.

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

The InChIKey is BABFBULHVYRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F2N5O2/c1-4-14(2)32-21(12-20(30-32)15-9-22(34-25(26)27)24(28)29-13-15)23-18-10-16(11-19(18)23)31-7-5-17(33-3)6-8-31/h9,12-14,16-19,23,25H,4-8,10-11H2,1-3H3,(H2,28,29).

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

5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 475.58 g/mol, XLogP of 4.70, 8 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-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123577726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).