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

C62H84Cl2N12O9S2 — CID 162227978

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

2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide (PubChem CID 162227978) has the molecular formula C62H84Cl2N12O9S2 and a molecular weight of 1284.52 g/mol. Its IUPAC name is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide
• PubChem CID: 162227978
• Molecular Formula: C62H84Cl2N12O9S2
• Molecular Weight: 1284.52 g/mol
• Exact Mass: 1282.58
• IUPAC Name: 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide
• SMILES: CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1.[2H]C([2H])(COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc(NCCC[C@@H]4CCC(C)(C)C4)n3)c(Cl)n2)n1)C([2H])([2H])C1(C)CC1.[2H]C([2H])(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C([2H])([2H])C1(C)CC1
• InChI: InChI=1S/C31H41ClN6O4S.C16H18ClN3O3.C15H25N3O2S/c1-30(2)15-12-22(21-30)7-5-18-33-24-8-4-9-27(34-24)43(40,41)37-29(39)23-10-11-25(35-28(23)32)38-19-13-26(36-38)42-20-6-14-31(3)16-17-31;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;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20/h4,8-11,13,19,22H,5-7,12,14-18,20-21H2,1-3H3,(H,33,34)(H,37,39);3-5,9H,2,6-8,10H2,1H3,(H,21,22);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20)/t22-;;12-/m1.1/s1/i6D2,14D2;2D2,6D2
• InChIKey: ZUZZFFWHEKJQQB-DZDKLYFCSA-N
• XLogP: 12.74
• TPSA: 290.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1284.52
LogP ≤ 5	12.74
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]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide?

The IUPAC name of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide (CID 162227978) is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide.

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

The canonical SMILES for 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide is CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1.[2H]C([2H])(COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc(NCCC[C@@H]4CCC(C)(C)C4)n3)c(Cl)n2)n1)C([2H])([2H])C1(C)CC1.[2H]C([2H])(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C([2H])([2H])C1(C)CC1.

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

The InChIKey is ZUZZFFWHEKJQQB-DZDKLYFCSA-N. The full InChI is InChI=1S/C31H41ClN6O4S.C16H18ClN3O3.C15H25N3O2S/c1-30(2)15-12-22(21-30)7-5-18-33-24-8-4-9-27(34-24)43(40,41)37-29(39)23-10-11-25(35-28(23)32)38-19-13-26(36-38)42-20-6-14-31(3)16-17-31;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;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20/h4,8-11,13,19,22H,5-7,12,14-18,20-21H2,1-3H3,(H,33,34)(H,37,39);3-5,9H,2,6-8,10H2,1H3,(H,21,22);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20)/t22-;;12-/m1.1/s1/i6D2,14D2;2D2,6D2;.

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

2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide has a molecular weight of 1284.52 g/mol, XLogP of 12.74, 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]-2-pyridinyl]sulfonyl]-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-(1-methylcyclopropyl)propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 162227978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).