2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide

C60H80Cl2N12O9S2 — CID 161226964

About 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide

2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide (PubChem CID 161226964) has the molecular formula C60H80Cl2N12O9S2 and a molecular weight of 1248.41 g/mol. Its IUPAC name is 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide
• PubChem CID: 161226964
• Molecular Formula: C60H80Cl2N12O9S2
• Molecular Weight: 1248.41 g/mol
• Exact Mass: 1246.50
• IUPAC Name: 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide
• SMILES: CC1(C)CCC(CCNc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCCC5(C)CC5)n4)nc3Cl)n2)C1.CC1(C)CCC(CCNc2cccc(S(N)(=O)=O)n2)C1.CC1(CCCOc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1
• InChI: InChI=1S/C30H39ClN6O4S.C16H18ClN3O3.C14H23N3O2S/c1-29(2)14-10-21(20-29)11-17-32-23-6-4-7-26(33-23)42(39,40)36-28(38)22-8-9-24(34-27(22)31)37-18-12-25(35-37)41-19-5-13-30(3)15-16-30;1-16(7-8-16)6-2-10-23-13-5-9-20(19-13)12-4-3-11(15(21)22)14(17)18-12;1-14(2)8-6-11(10-14)7-9-16-12-4-3-5-13(17-12)20(15,18)19/h4,6-9,12,18,21H,5,10-11,13-17,19-20H2,1-3H3,(H,32,33)(H,36,38);3-5,9H,2,6-8,10H2,1H3,(H,21,22);3-5,11H,6-10H2,1-2H3,(H,16,17)(H2,15,18,19)
• InChIKey: UYGGRTOCQQTCOU-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 290.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1248.41
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide?

The IUPAC name of 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide (CID 161226964) is 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide.

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

The canonical SMILES for 2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide is CC1(C)CCC(CCNc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCCC5(C)CC5)n4)nc3Cl)n2)C1.CC1(C)CCC(CCNc2cccc(S(N)(=O)=O)n2)C1.CC1(CCCOc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.

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

The InChIKey is UYGGRTOCQQTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN6O4S.C16H18ClN3O3.C14H23N3O2S/c1-29(2)14-10-21(20-29)11-17-32-23-6-4-7-26(33-23)42(39,40)36-28(38)22-8-9-24(34-27(22)31)37-18-12-25(35-37)41-19-5-13-30(3)15-16-30;1-16(7-8-16)6-2-10-23-13-5-9-20(19-13)12-4-3-11(15(21)22)14(17)18-12;1-14(2)8-6-11(10-14)7-9-16-12-4-3-5-13(17-12)20(15,18)19/h4,6-9,12,18,21H,5,10-11,13-17,19-20H2,1-3H3,(H,32,33)(H,36,38);3-5,9H,2,6-8,10H2,1H3,(H,21,22);3-5,11H,6-10H2,1-2H3,(H,16,17)(H2,15,18,19).

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

2-chloro-N-[[6-[2-(3,3-dimethylcyclopentyl)ethylamino]-2-pyridinyl]sulfonyl]-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide has a molecular weight of 1248.41 g/mol, XLogP of 11.96, 25 rotatable bonds, 5 hydrogen bond donors, and 18 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-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[2-(3,3-dimethylcyclopentyl)ethylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 161226964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).