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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide

C104H96Cl2F3N27O12S3 — CID 158129082

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide (PubChem CID 158129082) has the molecular formula C104H96Cl2F3N27O12S3 and a molecular weight of 2140.19 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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide.

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide
• PubChem CID: 158129082
• Molecular Formula: C104H96Cl2F3N27O12S3
• Molecular Weight: 2140.19 g/mol
• Exact Mass: 2137.62
• 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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide
• SMILES: 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.O=S(=O)(Nc1cc(Cl)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C3CC3)cnn12)c1cccnc1
• InChI: InChI=1S/2C28H28N6O3.C22H21N5O2S.C14H12ClN5O2S.C12H7ClF3N5O2S/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;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/h1-4,6-8,12,14-16,20,22H,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;1-2,5-9,19H,3-4H2;1-6,20H
• InChIKey: FSNVWIMAUMNWCW-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 471.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2140.19
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide?

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide (CID 158129082) 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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide.

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide?

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide is 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.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-(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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide?

The InChIKey is FSNVWIMAUMNWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N6O3.C22H21N5O2S.C14H12ClN5O2S.C12H7ClF3N5O2S/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;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/h1-4,6-8,12,14-16,20,22H,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;1-2,5-9,19H,3-4H2;1-6,20H.

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide?

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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide has a molecular weight of 2140.19 g/mol, XLogP of 18.84, 24 rotatable bonds, 5 hydrogen bond donors, and 32 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-(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-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 158129082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).