3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C23H29F2N5O2 — CID 140678119

About 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 140678119) has the molecular formula C23H29F2N5O2 and a molecular weight of 445.51 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• PubChem CID: 140678119
• Molecular Formula: C23H29F2N5O2
• Molecular Weight: 445.51 g/mol
• Exact Mass: 445.23
• IUPAC Name: 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• SMILES: CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3C4COCC3C4)CC21
• InChI: InChI=1S/C23H29F2N5O2/c1-11(2)30-19(7-18(28-30)12-3-20(32-23(24)25)22(26)27-8-12)21-16-5-13(6-17(16)21)29-14-4-15(29)10-31-9-14/h3,7-8,11,13-17,21,23H,4-6,9-10H2,1-2H3,(H2,26,27)
• InChIKey: FVXCHEMBZSHBTR-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.51
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The IUPAC name of 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 140678119) is 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The canonical SMILES for 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3C4COCC3C4)CC21.

What is the InChIKey of 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The InChIKey is FVXCHEMBZSHBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N5O2/c1-11(2)30-19(7-18(28-30)12-3-20(32-23(24)25)22(26)27-8-12)21-16-5-13(6-17(16)21)29-14-4-15(29)10-31-9-14/h3,7-8,11,13-17,21,23H,4-6,9-10H2,1-2H3,(H2,26,27).

What are the key properties of 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 445.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethoxy)-5-[5-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 140678119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).