potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate

C80H107KN8O10S2 — CID 157099299

About potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate

potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate (PubChem CID 157099299) has the molecular formula C80H107KN8O10S2 and a molecular weight of 1444.01 g/mol. Its IUPAC name is potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate
• PubChem CID: 157099299
• Molecular Formula: C80H107KN8O10S2
• Molecular Weight: 1444.01 g/mol
• Exact Mass: 1442.72
• IUPAC Name: potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate
• SMILES: CC(C)(C)[O-].CC1CCC(Cc2cc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)cc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(NC2CC2)c(C#CCC2CCC(C)CC2)c1.[K+]
• InChI: InChI=1S/C28H35N3O3S.C20H26N2O2.C19H24N2O2.C9H13NO2S.C4H9O.K/c1-3-35(33,34)26-12-8-21(9-13-26)17-30-28(32)23-15-22-16-25(14-20-6-4-19(2)5-7-20)31(24-10-11-24)27(22)29-18-23;1-14-6-8-15(9-7-14)4-3-5-16-12-17(20(23)24-2)13-21-19(16)22-18-10-11-18;1-12-2-4-13(5-3-12)8-17-10-14-9-15(19(22)23)11-20-18(14)21(17)16-6-7-16;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-4(2,3)5;/h8-9,12-13,15-16,18-20,24H,3-7,10-11,14,17H2,1-2H3,(H,30,32);12-15,18H,4,6-11H2,1-2H3,(H,21,22);9-13,16H,2-8H2,1H3,(H,22,23);3-6H,2,7,10H2,1H3;1-3H3;/q;;;;-1;+1
• InChIKey: AFORWJXUYWMVFZ-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 270.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1444.01
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate?

The IUPAC name of potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate (CID 157099299) is potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate.

What is the SMILES notation for potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate?

The canonical SMILES for potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate is CC(C)(C)[O-].CC1CCC(Cc2cc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)cc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(NC2CC2)c(C#CCC2CCC(C)CC2)c1.[K+].

What is the InChIKey of potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate?

The InChIKey is AFORWJXUYWMVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3S.C20H26N2O2.C19H24N2O2.C9H13NO2S.C4H9O.K/c1-3-35(33,34)26-12-8-21(9-13-26)17-30-28(32)23-15-22-16-25(14-20-6-4-19(2)5-7-20)31(24-10-11-24)27(22)29-18-23;1-14-6-8-15(9-7-14)4-3-5-16-12-17(20(23)24-2)13-21-19(16)22-18-10-11-18;1-12-2-4-13(5-3-12)8-17-10-14-9-15(19(22)23)11-20-18(14)21(17)16-6-7-16;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-4(2,3)5;/h8-9,12-13,15-16,18-20,24H,3-7,10-11,14,17H2,1-2H3,(H,30,32);12-15,18H,4,6-11H2,1-2H3,(H,21,22);9-13,16H,2-8H2,1H3,(H,22,23);3-6H,2,7,10H2,1H3;1-3H3;/q;;;;-1;+1.

What are the key properties of potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate?

potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate has a molecular weight of 1444.01 g/mol, XLogP of 12.00, 19 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate is sourced from PubChem (CID 157099299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).