5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H28F3N5O2 — CID 140678152

About 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 140678152) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 140678152
• Molecular Formula: C23H28F3N5O2
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.22
• IUPAC Name: 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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(N3C[C@H]4C[C@@H]3CO4)CC21
• InChI: InChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16?,17?,21?/m1/s1
• InChIKey: RLQQZRFBODYCKR-QCJQERGKSA-N
• XLogP: 3.97
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 140678152) is 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-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(N3C[C@H]4C[C@@H]3CO4)CC21.

What is the InChIKey of 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is RLQQZRFBODYCKR-QCJQERGKSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16?,17?,21?/m1/s1.

What are the key properties of 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 463.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 140678152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).