2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane

C65H92Cl2N12O9S2 — CID 157367834

About 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane

2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane (PubChem CID 157367834) has the molecular formula C65H92Cl2N12O9S2 and a molecular weight of 1320.57 g/mol. Its IUPAC name is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane
• PubChem CID: 157367834
• Molecular Formula: C65H92Cl2N12O9S2
• Molecular Weight: 1320.57 g/mol
• Exact Mass: 1318.59
• IUPAC Name: 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane
• SMILES: C.CC1(CCCOc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.Cc1ccc(NCCC[C@@H]2CCC(C)(C)C2)nc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCCCC3(C)CC3)n2)nc1Cl.Cc1ccc(NCCC[C@@H]2CCC(C)(C)C2)nc1S(N)(=O)=O
• InChI: InChI=1S/C32H43ClN6O4S.C16H18ClN3O3.C16H27N3O2S.CH4/c1-22-8-10-25(34-18-5-7-23-12-15-31(2,3)21-23)35-30(22)44(41,42)38-29(40)24-9-11-26(36-28(24)33)39-19-13-27(37-39)43-20-6-14-32(4)16-17-32;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;1-12-6-7-14(19-15(12)22(17,20)21)18-10-4-5-13-8-9-16(2,3)11-13;/h8-11,13,19,23H,5-7,12,14-18,20-21H2,1-4H3,(H,34,35)(H,38,40);3-5,9H,2,6-8,10H2,1H3,(H,21,22);6-7,13H,4-5,8-11H2,1-3H3,(H,18,19)(H2,17,20,21);1H4/t23-;;13-;/m1.1./s1
• InChIKey: BJKADIZUTFERES-SPNOMWDLSA-N
• XLogP: 13.99
• TPSA: 290.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.57
LogP ≤ 5	13.99
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-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane?

The IUPAC name of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane (CID 157367834) is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane.

What is the SMILES notation for 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane?

The canonical SMILES for 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane is C.CC1(CCCOc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.Cc1ccc(NCCC[C@@H]2CCC(C)(C)C2)nc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCCCC3(C)CC3)n2)nc1Cl.Cc1ccc(NCCC[C@@H]2CCC(C)(C)C2)nc1S(N)(=O)=O.

What is the InChIKey of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane?

The InChIKey is BJKADIZUTFERES-SPNOMWDLSA-N. The full InChI is InChI=1S/C32H43ClN6O4S.C16H18ClN3O3.C16H27N3O2S.CH4/c1-22-8-10-25(34-18-5-7-23-12-15-31(2,3)21-23)35-30(22)44(41,42)38-29(40)24-9-11-26(36-28(24)33)39-19-13-27(37-39)43-20-6-14-32(4)16-17-32;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;1-12-6-7-14(19-15(12)22(17,20)21)18-10-4-5-13-8-9-16(2,3)11-13;/h8-11,13,19,23H,5-7,12,14-18,20-21H2,1-4H3,(H,34,35)(H,38,40);3-5,9H,2,6-8,10H2,1H3,(H,21,22);6-7,13H,4-5,8-11H2,1-3H3,(H,18,19)(H2,17,20,21);1H4/t23-;;13-;/m1.1./s1.

What are the key properties of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane?

2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane has a molecular weight of 1320.57 g/mol, XLogP of 13.99, 27 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-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methyl-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-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-3-methylpyridine-2-sulfonamide;methane is sourced from PubChem (CID 157367834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).