(4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C64H56Cl4N20O8S4 — CID 160733375

About (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

(4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 160733375) has the molecular formula C64H56Cl4N20O8S4 and a molecular weight of 1503.36 g/mol. Its IUPAC name is (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• PubChem CID: 160733375
• Molecular Formula: C64H56Cl4N20O8S4
• Molecular Weight: 1503.36 g/mol
• Exact Mass: 1500.22
• IUPAC Name: (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• SMILES: O=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]ncc2[C@@H]1c1cncnc1.O=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]ncc2[C@H]1c1cncnc1.O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2C[C@@H]1c1cncnc1.O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2C[C@H]1c1cncnc1
• InChI: InChI=1S/4C16H14ClN5O2S/c2*17-13-1-3-14(4-2-13)25(23,24)22-9-12-8-20-21-15(12)5-16(22)11-6-18-10-19-7-11;2*17-12-1-3-13(4-2-12)25(23,24)22-6-5-15-14(9-20-21-15)16(22)11-7-18-10-19-8-11/h2*1-4,6-8,10,16H,5,9H2,(H,20,21);2*1-4,7-10,16H,5-6H2,(H,20,21)/t4*16-/m1010/s1
• InChIKey: RUQCVEZKKCPBHF-CUJIRLJHSA-N
• XLogP: 9.06
• TPSA: 367.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.36
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The IUPAC name of (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 160733375) is (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

What is the SMILES notation for (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The canonical SMILES for (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]ncc2[C@@H]1c1cncnc1.O=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]ncc2[C@H]1c1cncnc1.O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2C[C@@H]1c1cncnc1.O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2C[C@H]1c1cncnc1.

What is the InChIKey of (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The InChIKey is RUQCVEZKKCPBHF-CUJIRLJHSA-N. The full InChI is InChI=1S/4C16H14ClN5O2S/c2*17-13-1-3-14(4-2-13)25(23,24)22-9-12-8-20-21-15(12)5-16(22)11-6-18-10-19-7-11;2*17-12-1-3-13(4-2-12)25(23,24)22-6-5-15-14(9-20-21-15)16(22)11-7-18-10-19-8-11/h2*1-4,6-8,10,16H,5,9H2,(H,20,21);2*1-4,7-10,16H,5-6H2,(H,20,21)/t4*16-/m1010/s1.

What are the key properties of (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

(4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 1503.36 g/mol, XLogP of 9.06, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(4R)-5-(4-chlorophenyl)sulfonyl-4-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6R)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;(6S)-5-(4-chlorophenyl)sulfonyl-6-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 160733375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).