benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

C115H98Cl2F6N32O17S6 — CID 160504455

About benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (PubChem CID 160504455) has the molecular formula C115H98Cl2F6N32O17S6 and a molecular weight of 2577.55 g/mol. Its IUPAC name is benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
• PubChem CID: 160504455
• Molecular Formula: C115H98Cl2F6N32O17S6
• Molecular Weight: 2577.55 g/mol
• Exact Mass: 2574.54
• IUPAC Name: benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
• SMILES: C#Cc1cnn2c(NS(=O)(=O)c3cccnc3)cc(-c3ccccc3)nc12.O=C(OCc1ccccc1)N1CCC(c2cc(NS(=O)(=O)c3cccnc3)n3ncc(C4CC4)c3n2)CC1.O=C(OCc1ccccc1)N1CCCC(c2cc(NS(=O)(=O)c3cccnc3)n3ncc(C4CC4)c3n2)C1.O=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C3CC3)cnn12)c1cccnc1
• InChI: InChI=1S/2C27H28N6O4S.C19H13N5O2S.C16H10F3N5O3S.C14H12ClN5O2S.C12H7ClF3N5O2S/c34-27(37-18-19-6-2-1-3-7-19)32-13-5-8-21(17-32)24-14-25(31-38(35,36)22-9-4-12-28-15-22)33-26(30-24)23(16-29-33)20-10-11-20;34-27(37-18-19-5-2-1-3-6-19)32-13-10-21(11-14-32)24-15-25(31-38(35,36)22-7-4-12-28-16-22)33-26(30-24)23(17-29-33)20-8-9-20;1-2-14-12-21-24-18(23-27(25,26)16-9-6-10-20-13-16)11-17(22-19(14)24)15-7-4-3-5-8-15;17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13;15-12-6-13(19-23(21,22)10-2-1-5-16-7-10)20-14(18-12)11(8-17-20)9-3-4-9;13-9-4-10(20-24(22,23)7-2-1-3-17-5-7)21-11(19-9)8(6-18-21)12(14,15)16/h1-4,6-7,9,12,14-16,20-21,31H,5,8,10-11,13,17-18H2;1-7,12,15-17,20-21,31H,8-11,13-14,18H2;1,3-13,23H;1-9,23H;1-2,5-9,19H,3-4H2;1-6,20H
• InChIKey: QSFBHKBYTFOYGM-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 607.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2577.55
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?

The IUPAC name of benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (CID 160504455) is benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.

What is the SMILES notation for benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?

The canonical SMILES for benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is C#Cc1cnn2c(NS(=O)(=O)c3cccnc3)cc(-c3ccccc3)nc12.O=C(OCc1ccccc1)N1CCC(c2cc(NS(=O)(=O)c3cccnc3)n3ncc(C4CC4)c3n2)CC1.O=C(OCc1ccccc1)N1CCCC(c2cc(NS(=O)(=O)c3cccnc3)n3ncc(C4CC4)c3n2)C1.O=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C3CC3)cnn12)c1cccnc1.

What is the InChIKey of benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?

The InChIKey is QSFBHKBYTFOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H28N6O4S.C19H13N5O2S.C16H10F3N5O3S.C14H12ClN5O2S.C12H7ClF3N5O2S/c34-27(37-18-19-6-2-1-3-7-19)32-13-5-8-21(17-32)24-14-25(31-38(35,36)22-9-4-12-28-15-22)33-26(30-24)23(16-29-33)20-10-11-20;34-27(37-18-19-5-2-1-3-6-19)32-13-10-21(11-14-32)24-15-25(31-38(35,36)22-7-4-12-28-16-22)33-26(30-24)23(17-29-33)20-8-9-20;1-2-14-12-21-24-18(23-27(25,26)16-9-6-10-20-13-16)11-17(22-19(14)24)15-7-4-3-5-8-15;17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13;15-12-6-13(19-23(21,22)10-2-1-5-16-7-10)20-14(18-12)11(8-17-20)9-3-4-9;13-9-4-10(20-24(22,23)7-2-1-3-17-5-7)21-11(19-9)8(6-18-21)12(14,15)16/h1-4,6-7,9,12,14-16,20-21,31H,5,8,10-11,13,17-18H2;1-7,12,15-17,20-21,31H,8-11,13-14,18H2;1,3-13,23H;1-9,23H;1-2,5-9,19H,3-4H2;1-6,20H.

What are the key properties of benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?

benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide has a molecular weight of 2577.55 g/mol, XLogP of 19.47, 29 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 160504455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).