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

C57H73Cl2N13O8S2 — CID 158632281

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

2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 158632281) has the molecular formula C57H73Cl2N13O8S2 and a molecular weight of 1203.33 g/mol. Its IUPAC name is 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 158632281
• Molecular Formula: C57H73Cl2N13O8S2
• Molecular Weight: 1203.33 g/mol
• Exact Mass: 1201.45
• IUPAC Name: 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)CCC(CCNc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C)CC5)n4)nc3Cl)n2)C1.CC1(CCOc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4cccc(NCCC5CNC(C)(C)C5)n4)c(Cl)n3)n2)CC1
• InChI: InChI=1S/C29H37ClN6O4S.C28H36ClN7O4S/c1-28(2)12-9-20(19-28)10-16-31-22-5-4-6-25(32-22)41(38,39)35-27(37)21-7-8-23(33-26(21)30)36-17-11-24(34-36)40-18-15-29(3)13-14-29;1-27(2)17-19(18-31-27)9-14-30-21-5-4-6-24(32-21)41(38,39)35-26(37)20-7-8-22(33-25(20)29)36-15-10-23(34-36)40-16-13-28(3)11-12-28/h4-8,11,17,20H,9-10,12-16,18-19H2,1-3H3,(H,31,32)(H,35,37);4-8,10,15,19,31H,9,11-14,16-18H2,1-3H3,(H,30,32)(H,35,37)
• InChIKey: HZIPSRJMVFCGTG-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 268.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1203.33
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	5
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-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 158632281) is 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is CC1(C)CCC(CCNc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5(C)CC5)n4)nc3Cl)n2)C1.CC1(CCOc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4cccc(NCCC5CNC(C)(C)C5)n4)c(Cl)n3)n2)CC1.

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

The InChIKey is HZIPSRJMVFCGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN6O4S.C28H36ClN7O4S/c1-28(2)12-9-20(19-28)10-16-31-22-5-4-6-25(32-22)41(38,39)35-27(37)21-7-8-23(33-26(21)30)36-17-11-24(34-36)40-18-15-29(3)13-14-29;1-27(2)17-19(18-31-27)9-14-30-21-5-4-6-24(32-21)41(38,39)35-26(37)20-7-8-22(33-25(20)29)36-15-10-23(34-36)40-16-13-28(3)11-12-28/h4-8,11,17,20H,9-10,12-16,18-19H2,1-3H3,(H,31,32)(H,35,37);4-8,10,15,19,31H,9,11-14,16-18H2,1-3H3,(H,30,32)(H,35,37).

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

2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 1203.33 g/mol, XLogP of 9.83, 24 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-N-[[6-[2-(5,5-dimethylpyrrolidin-3-yl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158632281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).