2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide

C62H78Cl2F6N12O9S2 — CID 159868867

About 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide

2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide (PubChem CID 159868867) has the molecular formula C62H78Cl2F6N12O9S2 and a molecular weight of 1384.41 g/mol. Its IUPAC name is 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide
• PubChem CID: 159868867
• Molecular Formula: C62H78Cl2F6N12O9S2
• Molecular Weight: 1384.41 g/mol
• Exact Mass: 1382.47
• IUPAC Name: 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)nc1NCCCC1CCC(C)(C)C1.Cc1ccc(S(N)(=O)=O)nc1NCCCC1CCC(C)(C)C1.O=C(O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)nc1Cl
• InChI: InChI=1S/C31H38ClF3N6O4S.C16H27N3O2S.C15H13ClF3N3O3/c1-20-6-9-25(38-27(20)36-16-4-5-21-10-12-29(2,3)19-21)46(43,44)40-28(42)22-7-8-23(37-26(22)32)41-17-11-24(39-41)45-18-15-30(13-14-30)31(33,34)35;1-12-6-7-14(22(17,20)21)19-15(12)18-10-4-5-13-8-9-16(2,3)11-13;16-12-9(13(23)24)1-2-10(20-12)22-7-3-11(21-22)25-8-6-14(4-5-14)15(17,18)19/h6-9,11,17,21H,4-5,10,12-16,18-19H2,1-3H3,(H,36,38)(H,40,42);6-7,13H,4-5,8-11H2,1-3H3,(H,18,19)(H2,17,20,21);1-3,7H,4-6,8H2,(H,23,24)
• InChIKey: NSBRLLGJLDVOSE-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 290.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1384.41
LogP ≤ 5	13.66
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-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide?

The IUPAC name of 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide (CID 159868867) is 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide.

What is the SMILES notation for 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide?

The canonical SMILES for 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)nc1NCCCC1CCC(C)(C)C1.Cc1ccc(S(N)(=O)=O)nc1NCCCC1CCC(C)(C)C1.O=C(O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)nc1Cl.

What is the InChIKey of 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide?

The InChIKey is NSBRLLGJLDVOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClF3N6O4S.C16H27N3O2S.C15H13ClF3N3O3/c1-20-6-9-25(38-27(20)36-16-4-5-21-10-12-29(2,3)19-21)46(43,44)40-28(42)22-7-8-23(37-26(22)32)41-17-11-24(39-41)45-18-15-30(13-14-30)31(33,34)35;1-12-6-7-14(22(17,20)21)19-15(12)18-10-4-5-13-8-9-16(2,3)11-13;16-12-9(13(23)24)1-2-10(20-12)22-7-3-11(21-22)25-8-6-14(4-5-14)15(17,18)19/h6-9,11,17,21H,4-5,10,12-16,18-19H2,1-3H3,(H,36,38)(H,40,42);6-7,13H,4-5,8-11H2,1-3H3,(H,18,19)(H2,17,20,21);1-3,7H,4-6,8H2,(H,23,24).

What are the key properties of 2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide?

2-chloro-N-[[6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide has a molecular weight of 1384.41 g/mol, XLogP of 13.66, 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-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methyl-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 159868867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).