5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C70H88F7N15O5 — CID 161074680

About 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 161074680) has the molecular formula C70H88F7N15O5 and a molecular weight of 1352.56 g/mol. Its IUPAC name is 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• PubChem CID: 161074680
• Molecular Formula: C70H88F7N15O5
• Molecular Weight: 1352.56 g/mol
• Exact Mass: 1351.70
• IUPAC Name: 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• SMILES: CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4COCC4C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4CC(C3)O4)C[C@@H]12.Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(CC3CC3)n2)cc1OC(F)F
• InChI: InChI=1S/C24H30F3N5O.2C23H29F2N5O2/c1-12(2)32-21(6-20(30-32)13-3-19(24(25,26)27)23(28)29-7-13)22-17-4-16(5-18(17)22)31-8-14-10-33-11-15(14)9-31;1-11(2)30-19(7-18(28-30)12-3-20(32-23(24)25)22(26)27-8-12)21-16-4-13(5-17(16)21)29-9-14-6-15(10-29)31-14;24-23(25)32-20-7-14(11-27-22(20)26)18-10-19(30(28-18)12-13-1-2-13)21-16-8-15(9-17(16)21)29-3-5-31-6-4-29/h3,6-7,12,14-18,22H,4-5,8-11H2,1-2H3,(H2,28,29);3,7-8,11,13-17,21,23H,4-6,9-10H2,1-2H3,(H2,26,27);7,10-11,13,15-17,21,23H,1-6,8-9,12H2,(H2,26,27)/t14?,15?,16?,17-,18+,22?;13?,14?,15?,16-,17+,21?;15?,16-,17+,21?
• InChIKey: UFCMZXUHTZDIEE-HLAVZSKTSA-N
• XLogP: 11.23
• TPSA: 226.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.56
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The IUPAC name of 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 161074680) is 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The canonical SMILES for 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4COCC4C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4CC(C3)O4)C[C@@H]12.Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(CC3CC3)n2)cc1OC(F)F.

What is the InChIKey of 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The InChIKey is UFCMZXUHTZDIEE-HLAVZSKTSA-N. The full InChI is InChI=1S/C24H30F3N5O.2C23H29F2N5O2/c1-12(2)32-21(6-20(30-32)13-3-19(24(25,26)27)23(28)29-7-13)22-17-4-16(5-18(17)22)31-8-14-10-33-11-15(14)9-31;1-11(2)30-19(7-18(28-30)12-3-20(32-23(24)25)22(26)27-8-12)21-16-4-13(5-17(16)21)29-9-14-6-15(10-29)31-14;24-23(25)32-20-7-14(11-27-22(20)26)18-10-19(30(28-18)12-13-1-2-13)21-16-8-15(9-17(16)21)29-3-5-31-6-4-29/h3,6-7,12,14-18,22H,4-5,8-11H2,1-2H3,(H2,28,29);3,7-8,11,13-17,21,23H,4-6,9-10H2,1-2H3,(H2,26,27);7,10-11,13,15-17,21,23H,1-6,8-9,12H2,(H2,26,27)/t14?,15?,16?,17-,18+,22?;13?,14?,15?,16-,17+,21?;15?,16-,17+,21?.

What are the key properties of 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 1352.56 g/mol, XLogP of 11.23, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(1S,5R)-3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 161074680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).