2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide

C61H77Cl2N13O8S2 — CID 160800062

About 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 160800062) has the molecular formula C61H77Cl2N13O8S2 and a molecular weight of 1255.41 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 160800062
• Molecular Formula: C61H77Cl2N13O8S2
• Molecular Weight: 1255.41 g/mol
• Exact Mass: 1253.48
• IUPAC Name: 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)CC(CCCn2ccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3Cl)n2)CN1.CC1(C)CCC(CCCn2ccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3Cl)n2)C1
• InChI: InChI=1S/C31H39ClN6O4S.C30H38ClN7O4S/c1-29(2)11-7-21(20-29)4-3-16-37-17-9-26(35-37)43(40,41)36-28(39)22-5-6-24(33-27(22)32)38-18-8-25(34-38)42-19-10-23-30(12-13-30)31(23)14-15-31;1-28(2)18-20(19-32-28)4-3-14-37-15-8-25(35-37)43(40,41)36-27(39)21-5-6-23(33-26(21)31)38-16-7-24(34-38)42-17-9-22-29(10-11-29)30(22)12-13-30/h5-6,8-9,17-18,21,23H,3-4,7,10-16,19-20H2,1-2H3,(H,36,39);5-8,15-16,20,22,32H,3-4,9-14,17-19H2,1-2H3,(H,36,39)
• InChIKey: SCYNCAZJLAKZHJ-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 254.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.41
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide (CID 160800062) is 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide is CC1(C)CC(CCCn2ccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3Cl)n2)CN1.CC1(C)CCC(CCCn2ccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3Cl)n2)C1.

What is the InChIKey of 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is SCYNCAZJLAKZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39ClN6O4S.C30H38ClN7O4S/c1-29(2)11-7-21(20-29)4-3-16-37-17-9-26(35-37)43(40,41)36-28(39)22-5-6-24(33-27(22)32)38-18-8-25(34-38)42-19-10-23-30(12-13-30)31(23)14-15-31;1-28(2)18-20(19-32-28)4-3-14-37-15-8-25(35-37)43(40,41)36-27(39)21-5-6-23(33-26(21)31)38-16-7-24(34-38)42-17-9-22-29(10-11-29)30(22)12-13-30/h5-6,8-9,17-18,21,23H,3-4,7,10-16,19-20H2,1-2H3,(H,36,39);5-8,15-16,20,22,32H,3-4,9-14,17-19H2,1-2H3,(H,36,39).

What are the key properties of 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 1255.41 g/mol, XLogP of 10.16, 24 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[3-(3,3-dimethylcyclopentyl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[1-[3-(5,5-dimethylpyrrolidin-3-yl)propyl]pyrazol-3-yl]sulfonyl-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 160800062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).