1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C66H81F10N15O3 — CID 157277257

About 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 157277257) has the molecular formula C66H81F10N15O3 and a molecular weight of 1322.46 g/mol. Its IUPAC name is 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 157277257
• Molecular Formula: C66H81F10N15O3
• Molecular Weight: 1322.46 g/mol
• Exact Mass: 1321.65
• IUPAC Name: 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CCCC3=O)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CCOC[C@H]3C)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC(F)(F)C3)C[C@@H]12
• InChI: InChI=1S/C23H30F3N5O.C22H26F3N5O.C21H25F4N5O/c1-12(2)31-20(9-19(29-31)14-6-18(23(24,25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-4-5-32-11-13(30)3;1-11(2)30-18(20-14-7-13(8-15(14)20)29-5-3-4-19(29)31)9-17(28-30)12-6-16(22(23,24)25)21(26)27-10-12;1-10(2)30-16(18-13-4-12(5-14(13)18)29-8-21(24,25)9-29)6-15(28-30)11-3-17(31-20(22)23)19(26)27-7-11/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);6,9-11,13-15,20H,3-5,7-8H2,1-2H3,(H2,26,27);3,6-7,10,12-14,18,20H,4-5,8-9H2,1-2H3,(H2,26,27)/t13-,15?,16-,17+,21?;13?,14-,15+,20?;12?,13-,14+,18?/m1../s1
• InChIKey: AZGDWQSHSACUBT-QWKJEOEPSA-N
• XLogP: 12.73
• TPSA: 215.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.46
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 157277257) is 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CCCC3=O)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CCOC[C@H]3C)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC(F)(F)C3)C[C@@H]12.

What is the InChIKey of 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is AZGDWQSHSACUBT-QWKJEOEPSA-N. The full InChI is InChI=1S/C23H30F3N5O.C22H26F3N5O.C21H25F4N5O/c1-12(2)31-20(9-19(29-31)14-6-18(23(24,25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-4-5-32-11-13(30)3;1-11(2)30-18(20-14-7-13(8-15(14)20)29-5-3-4-19(29)31)9-17(28-30)12-6-16(22(23,24)25)21(26)27-10-12;1-10(2)30-16(18-13-4-12(5-14(13)18)29-8-21(24,25)9-29)6-15(28-30)11-3-17(31-20(22)23)19(26)27-7-11/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);6,9-11,13-15,20H,3-5,7-8H2,1-2H3,(H2,26,27);3,6-7,10,12-14,18,20H,4-5,8-9H2,1-2H3,(H2,26,27)/t13-,15?,16-,17+,21?;13?,14-,15+,20?;12?,13-,14+,18?/m1../s1.

What are the key properties of 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?

1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1322.46 g/mol, XLogP of 12.73, 14 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one;5-[5-[(1R,5S)-3-(3,3-difluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 157277257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).