N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide

C95H91F7N22O6S — CID 159457737

About N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide

N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 159457737) has the molecular formula C95H91F7N22O6S and a molecular weight of 1801.97 g/mol. Its IUPAC name is N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide
• PubChem CID: 159457737
• Molecular Formula: C95H91F7N22O6S
• Molecular Weight: 1801.97 g/mol
• Exact Mass: 1800.71
• IUPAC Name: N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide
• SMILES: COc1ncc(F)cc1[C@@]12C[C@@H]1CCN2c1ccn2ncc(NC(=O)N3CC[C@H](C)C3)c2n1.C[C@H]1CCN(C(=O)c2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)C1.Cc1ccc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)cc1.Cc1ccc(S(=O)(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)cc1
• InChI: InChI=1S/C25H21F2N5O.C24H21F2N5O2S.C23H23F2N5O.C23H26FN7O2/c1-15-2-4-16(5-3-15)24(33)29-21-14-28-32-11-9-22(30-23(21)32)31-10-8-17-13-25(17,31)19-12-18(26)6-7-20(19)27;1-15-2-5-18(6-3-15)34(32,33)29-21-14-27-31-11-9-22(28-23(21)31)30-10-8-16-13-24(16,30)19-12-17(25)4-7-20(19)26;1-14-4-7-28(13-14)22(31)17-12-26-30-9-6-20(27-21(17)30)29-8-5-15-11-23(15,29)18-10-16(24)2-3-19(18)25;1-14-3-6-29(13-14)22(32)27-18-12-26-31-8-5-19(28-20(18)31)30-7-4-15-10-23(15,30)17-9-16(24)11-25-21(17)33-2/h2-7,9,11-12,14,17H,8,10,13H2,1H3,(H,29,33);2-7,9,11-12,14,16,29H,8,10,13H2,1H3;2-3,6,9-10,12,14-15H,4-5,7-8,11,13H2,1H3;5,8-9,11-12,14-15H,3-4,6-7,10,13H2,1-2H3,(H,27,32)/t17-,25+;16-,24+;2*14-,15-,23+/m0000/s1
• InChIKey: LUESVJFLRARZGC-CGOHODTLSA-N
• XLogP: 15.82
• TPSA: 283.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.97
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

The IUPAC name of N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide (CID 159457737) is N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide.

What is the SMILES notation for N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

The canonical SMILES for N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide is COc1ncc(F)cc1[C@@]12C[C@@H]1CCN2c1ccn2ncc(NC(=O)N3CC[C@H](C)C3)c2n1.C[C@H]1CCN(C(=O)c2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)C1.Cc1ccc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)cc1.Cc1ccc(S(=O)(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)cc1.

What is the InChIKey of N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

The InChIKey is LUESVJFLRARZGC-CGOHODTLSA-N. The full InChI is InChI=1S/C25H21F2N5O.C24H21F2N5O2S.C23H23F2N5O.C23H26FN7O2/c1-15-2-4-16(5-3-15)24(33)29-21-14-28-32-11-9-22(30-23(21)32)31-10-8-17-13-25(17,31)19-12-18(26)6-7-20(19)27;1-15-2-5-18(6-3-15)34(32,33)29-21-14-27-31-11-9-22(28-23(21)31)30-10-8-16-13-24(16,30)19-12-17(25)4-7-20(19)26;1-14-4-7-28(13-14)22(31)17-12-26-30-9-6-20(27-21(17)30)29-8-5-15-11-23(15,29)18-10-16(24)2-3-19(18)25;1-14-3-6-29(13-14)22(32)27-18-12-26-31-8-5-19(28-20(18)31)30-7-4-15-10-23(15,30)17-9-16(24)11-25-21(17)33-2/h2-7,9,11-12,14,17H,8,10,13H2,1H3,(H,29,33);2-7,9,11-12,14,16,29H,8,10,13H2,1H3;2-3,6,9-10,12,14-15H,4-5,7-8,11,13H2,1H3;5,8-9,11-12,14-15H,3-4,6-7,10,13H2,1-2H3,(H,27,32)/t17-,25+;16-,24+;2*14-,15-,23+/m0000/s1.

What are the key properties of N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 1801.97 g/mol, XLogP of 15.82, 16 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylbenzenesulfonamide;[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;(3S)-N-[5-[(1R,5S)-1-(5-fluoro-2-methoxy-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 159457737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).