2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

C61H77Cl2N9O10S2 — CID 160952413

About 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 160952413) has the molecular formula C61H77Cl2N9O10S2 and a molecular weight of 1231.38 g/mol. Its IUPAC name is 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 160952413
• Molecular Formula: C61H77Cl2N9O10S2
• Molecular Weight: 1231.38 g/mol
• Exact Mass: 1229.46
• IUPAC Name: 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)CCC(CCCOc2ccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C)CC5)n4)nc3Cl)cc2)C1.CC1(CCOc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4ccc(OCCCC5CNC(C)(C)C5)cc4)c(Cl)n3)n2)CC1
• InChI: InChI=1S/C31H39ClN4O5S.C30H38ClN5O5S/c1-30(2)14-12-22(21-30)5-4-19-40-23-6-8-24(9-7-23)42(38,39)35-29(37)25-10-11-26(33-28(25)32)36-18-13-27(34-36)41-20-17-31(3)15-16-31;1-29(2)19-21(20-32-29)5-4-17-40-22-6-8-23(9-7-22)42(38,39)35-28(37)24-10-11-25(33-27(24)31)36-16-12-26(34-36)41-18-15-30(3)13-14-30/h6-11,13,18,22H,4-5,12,14-17,19-21H2,1-3H3,(H,35,37);6-12,16,21,32H,4-5,13-15,17-20H2,1-3H3,(H,35,37)
• InChIKey: SVXXYQGKSIZAEJ-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 236.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.38
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 160952413) is 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is CC1(C)CCC(CCCOc2ccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C)CC5)n4)nc3Cl)cc2)C1.CC1(CCOc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4ccc(OCCCC5CNC(C)(C)C5)cc4)c(Cl)n3)n2)CC1.

What is the InChIKey of 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is SVXXYQGKSIZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39ClN4O5S.C30H38ClN5O5S/c1-30(2)14-12-22(21-30)5-4-19-40-23-6-8-24(9-7-23)42(38,39)35-29(37)25-10-11-26(33-28(25)32)36-18-13-27(34-36)41-20-17-31(3)15-16-31;1-29(2)19-21(20-32-29)5-4-17-40-22-6-8-23(9-7-22)42(38,39)35-28(37)24-10-11-25(33-27(24)31)36-16-12-26(34-36)41-18-15-30(3)13-14-30/h6-11,13,18,22H,4-5,12,14-17,19-21H2,1-3H3,(H,35,37);6-12,16,21,32H,4-5,13-15,17-20H2,1-3H3,(H,35,37).

What are the key properties of 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 1231.38 g/mol, XLogP of 11.75, 26 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-[3-(3,3-dimethylcyclopentyl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[4-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]phenyl]sulfonyl-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 160952413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).