benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide

C98H90N22O9S — CID 169425782

About benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide

benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide (PubChem CID 169425782) has the molecular formula C98H90N22O9S and a molecular weight of 1752.01 g/mol. Its IUPAC name is benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide
• PubChem CID: 169425782
• Molecular Formula: C98H90N22O9S
• Molecular Weight: 1752.01 g/mol
• Exact Mass: 1750.70
• IUPAC Name: benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide
• SMILES: C#Cc1cnn2c(NC(=O)c3cccnc3)cc(-c3ccccc3)nc12.O=C(Nc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(C3CC3)cnn12)c1cccnc1.O=C(Nc1cc(C2CCN(C(=O)OCc3ccccc3)CC2)nc2c(C3CC3)cnn12)c1cccnc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CCCC3)cnn12)c1cccnc1
• InChI: InChI=1S/2C28H28N6O3.C22H21N5O2S.C20H13N5O/c35-27(21-8-4-12-29-15-21)32-25-14-24(31-26-23(20-10-11-20)16-30-34(25)26)22-9-5-13-33(17-22)28(36)37-18-19-6-2-1-3-7-19;35-27(22-7-4-12-29-16-22)32-25-15-24(31-26-23(20-8-9-20)17-30-34(25)26)21-10-13-33(14-11-21)28(36)37-18-19-5-2-1-3-6-19;28-30(29,18-11-6-12-23-14-18)26-21-13-20(17-9-2-1-3-10-17)25-22-19(15-24-27(21)22)16-7-4-5-8-16;1-2-14-13-22-25-18(24-20(26)16-9-6-10-21-12-16)11-17(23-19(14)25)15-7-4-3-5-8-15/h1-4,6-8,12,14-16,20,22H,5,9-11,13,17-18H2,(H,32,35);1-7,12,15-17,20-21H,8-11,13-14,18H2,(H,32,35);1-3,6,9-16,26H,4-5,7-8H2;1,3-13H,(H,24,26)
• InChIKey: HQHJOQUGSPLSPJ-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 364.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.01
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?

The IUPAC name of benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide (CID 169425782) is benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide.

What is the SMILES notation for benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?

The canonical SMILES for benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide is C#Cc1cnn2c(NC(=O)c3cccnc3)cc(-c3ccccc3)nc12.O=C(Nc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(C3CC3)cnn12)c1cccnc1.O=C(Nc1cc(C2CCN(C(=O)OCc3ccccc3)CC2)nc2c(C3CC3)cnn12)c1cccnc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CCCC3)cnn12)c1cccnc1.

What is the InChIKey of benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?

The InChIKey is HQHJOQUGSPLSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N6O3.C22H21N5O2S.C20H13N5O/c35-27(21-8-4-12-29-15-21)32-25-14-24(31-26-23(20-10-11-20)16-30-34(25)26)22-9-5-13-33(17-22)28(36)37-18-19-6-2-1-3-7-19;35-27(22-7-4-12-29-16-22)32-25-15-24(31-26-23(20-8-9-20)17-30-34(25)26)21-10-13-33(14-11-21)28(36)37-18-19-5-2-1-3-6-19;28-30(29,18-11-6-12-23-14-18)26-21-13-20(17-9-2-1-3-10-17)25-22-19(15-24-27(21)22)16-7-4-5-8-16;1-2-14-13-22-25-18(24-20(26)16-9-6-10-21-12-16)11-17(23-19(14)25)15-7-4-3-5-8-15/h1-4,6-8,12,14-16,20,22H,5,9-11,13,17-18H2,(H,32,35);1-7,12,15-17,20-21H,8-11,13-14,18H2,(H,32,35);1-3,6,9-16,26H,4-5,7-8H2;1,3-13H,(H,24,26).

What are the key properties of benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?

benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide has a molecular weight of 1752.01 g/mol, XLogP of 16.82, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 169425782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).