N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine

C77H82Cl4F4N16O14S4+2 — CID 157302212

About N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine

N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 157302212) has the molecular formula C77H82Cl4F4N16O14S4+2 and a molecular weight of 1801.67 g/mol. Its IUPAC name is N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
• PubChem CID: 157302212
• Molecular Formula: C77H82Cl4F4N16O14S4+2
• Molecular Weight: 1801.67 g/mol
• Exact Mass: 1798.38
• IUPAC Name: N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
• SMILES: CS(=O)(=O)Nc1c(C(=O)O)ccc(F)c1Cl.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3NS(C)(=O)=O)nn12.Cc1cc(C2[CH+]C2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3NS(C)(=O)=O)nn12.[CH2+]S(=O)(=O)Nc1cc(F)c(Cl)cc1C(=O)O
• InChI: InChI=1S/C23H25ClFN5O3S.C23H23ClFN5O3S.C15H20N4.C8H5ClFNO4S.C8H7ClFNO4S/c1-13-11-17(14-6-7-14)26-20-12-18(27-30(13)20)19-5-3-4-10-29(19)23(31)15-8-9-16(24)21(25)22(15)28-34(2,32)33;1-13-9-18(14-6-7-14)26-22-12-20(27-30(13)22)21-5-3-4-8-29(21)23(31)15-10-16(24)17(25)11-19(15)28-34(2,32)33;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-16(14,15)11-7-3-6(10)5(9)2-4(7)8(12)13;1-16(14,15)11-7-4(8(12)13)2-3-5(10)6(7)9/h8-9,11-12,14,19,28H,3-7,10H2,1-2H3;6,9-12,14,21H,3-5,7-8H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;2-3,11H,1H2;2-3,11H,1H3,(H,12,13)/p+2/t19-;14?,21-;12-;;/m000../s1
• InChIKey: BCAOFOUQNZIXRB-CQUQJNSGSA-P
• XLogP: 14.70
• TPSA: 402.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.67
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

The IUPAC name of N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 157302212) is N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is CS(=O)(=O)Nc1c(C(=O)O)ccc(F)c1Cl.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3)nn12.Cc1cc(C2CC2)nc2cc([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(F)c3NS(C)(=O)=O)nn12.Cc1cc(C2[CH+]C2)nc2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)c(F)cc3NS(C)(=O)=O)nn12.[CH2+]S(=O)(=O)Nc1cc(F)c(Cl)cc1C(=O)O.

What is the InChIKey of N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

The InChIKey is BCAOFOUQNZIXRB-CQUQJNSGSA-P. The full InChI is InChI=1S/C23H25ClFN5O3S.C23H23ClFN5O3S.C15H20N4.C8H5ClFNO4S.C8H7ClFNO4S/c1-13-11-17(14-6-7-14)26-20-12-18(27-30(13)20)19-5-3-4-10-29(19)23(31)15-8-9-16(24)21(25)22(15)28-34(2,32)33;1-13-9-18(14-6-7-14)26-22-12-20(27-30(13)22)21-5-3-4-8-29(21)23(31)15-10-16(24)17(25)11-19(15)28-34(2,32)33;1-10-8-13(11-5-6-11)17-15-9-14(18-19(10)15)12-4-2-3-7-16-12;1-16(14,15)11-7-3-6(10)5(9)2-4(7)8(12)13;1-16(14,15)11-7-4(8(12)13)2-3-5(10)6(7)9/h8-9,11-12,14,19,28H,3-7,10H2,1-2H3;6,9-12,14,21H,3-5,7-8H2,1-2H3;8-9,11-12,16H,2-7H2,1H3;2-3,11H,1H2;2-3,11H,1H3,(H,12,13)/p+2/t19-;14?,21-;12-;;/m000../s1.

What are the key properties of N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?

N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 1801.67 g/mol, XLogP of 14.70, 18 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-6-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-5-fluorophenyl]methanesulfonamide;3-chloro-4-fluoro-2-(methanesulfonamido)benzoic acid;5-chloro-4-fluoro-2-(methylsulfonylamino)benzoic acid;5-cyclopropyl-7-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157302212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).