2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide

C93H84F8N24O4S3 — CID 157373944

About 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide

2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 157373944) has the molecular formula C93H84F8N24O4S3 and a molecular weight of 1854.07 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide
• PubChem CID: 157373944
• Molecular Formula: C93H84F8N24O4S3
• Molecular Weight: 1854.07 g/mol
• Exact Mass: 1852.64
• IUPAC Name: 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide
• SMILES: CC(C)c1cnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.Cc1ncc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1cnc(C2CC2)s1.[2H]C1([2H])C[C@H](C)C([2H])([2H])N1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12
• InChI: InChI=1S/C24H20F2N6OS.C24H22F2N6OS.C23H24F2N6O.C22H18F2N6OS/c25-15-3-4-17(26)16(9-15)24-10-14(24)5-7-31(24)20-6-8-32-21(30-20)18(11-28-32)29-22(33)19-12-27-23(34-19)13-1-2-13;1-13(2)19-12-27-23(34-19)22(33)29-18-11-28-32-8-6-20(30-21(18)32)31-7-5-14-10-24(14,31)16-9-15(25)3-4-17(16)26;1-14-4-7-29(13-14)22(32)27-19-12-26-31-9-6-20(28-21(19)31)30-8-5-15-11-23(15,30)17-10-16(24)2-3-18(17)25;1-12-25-11-18(32-12)21(31)27-17-10-26-30-7-5-19(28-20(17)30)29-6-4-13-9-22(13,29)15-8-14(23)2-3-16(15)24/h3-4,6,8-9,11-14H,1-2,5,7,10H2,(H,29,33);3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,29,33);2-3,6,9-10,12,14-15H,4-5,7-8,11,13H2,1H3,(H,27,32);2-3,5,7-8,10-11,13H,4,6,9H2,1H3,(H,27,31)/t2*14-,24+;14-,15-,23+;13-,22+/m0000/s1/i;;7D2,13D2
• InChIKey: BKCDNFDTZSVRBK-KXPVGDJMSA-N
• XLogP: 17.84
• TPSA: 292.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1854.07
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide (CID 157373944) is 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-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 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide is CC(C)c1cnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.Cc1ncc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1cnc(C2CC2)s1.[2H]C1([2H])C[C@H](C)C([2H])([2H])N1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12.

What is the InChIKey of 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

The InChIKey is BKCDNFDTZSVRBK-KXPVGDJMSA-N. The full InChI is InChI=1S/C24H20F2N6OS.C24H22F2N6OS.C23H24F2N6O.C22H18F2N6OS/c25-15-3-4-17(26)16(9-15)24-10-14(24)5-7-31(24)20-6-8-32-21(30-20)18(11-28-32)29-22(33)19-12-27-23(34-19)13-1-2-13;1-13(2)19-12-27-23(34-19)22(33)29-18-11-28-32-8-6-20(30-21(18)32)31-7-5-14-10-24(14,31)16-9-15(25)3-4-17(16)26;1-14-4-7-29(13-14)22(32)27-19-12-26-31-9-6-20(28-21(19)31)30-8-5-15-11-23(15,30)17-10-16(24)2-3-18(17)25;1-12-25-11-18(32-12)21(31)27-17-10-26-30-7-5-19(28-20(17)30)29-6-4-13-9-22(13,29)15-8-14(23)2-3-16(15)24/h3-4,6,8-9,11-14H,1-2,5,7,10H2,(H,29,33);3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,29,33);2-3,6,9-10,12,14-15H,4-5,7-8,11,13H2,1H3,(H,27,32);2-3,5,7-8,10-11,13H,4,6,9H2,1H3,(H,27,31)/t2*14-,24+;14-,15-,23+;13-,22+/m0000/s1/i;;7D2,13D2;.

What are the key properties of 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide?

2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 1854.07 g/mol, XLogP of 17.84, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 157373944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).