potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride

C92H121BrCl5KN22O13 — CID 158093915

About potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride

potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride (PubChem CID 158093915) has the molecular formula C92H121BrCl5KN22O13 and a molecular weight of 2039.39 g/mol. Its IUPAC name is potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride.

Molecular Properties

• Compound Name: potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride
• PubChem CID: 158093915
• Molecular Formula: C92H121BrCl5KN22O13
• Molecular Weight: 2039.39 g/mol
• Exact Mass: 2034.67
• IUPAC Name: potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride
• SMILES: COC(CN=C=O)OC.COC(CNC(=O)Nc1c2c(nn1-c1cc(C)c(Cl)c(C)c1)CCN(C(=O)OC(C)(C)C)C2)OC.Cc1cc(-n2nc3c(c2-n2cc[nH]c2=O)CN(C(=O)OC(C)(C)C)CC3)cc(C)c1Cl.Cc1cc(-n2nc3c(c2N)CN(C(=O)OC(C)(C)C)CC3)cc(C)c1Cl.Cc1cc(NN)cc(C)c1Cl.Cl.Cn1ncc2cc(Br)ccc21.N#CC1=C([NH-])CCNC1.[K+]
• InChI: InChI=1S/C24H34ClN5O5.C22H26ClN5O3.C19H25ClN4O2.C8H7BrN2.C8H11ClN2.C6H8N3.C5H9NO3.ClH.K/c1-14-10-16(11-15(2)20(14)25)30-21(27-22(31)26-12-19(33-6)34-7)17-13-29(9-8-18(17)28-30)23(32)35-24(3,4)5;1-13-10-15(11-14(2)18(13)23)28-19(27-9-7-24-20(27)29)16-12-26(8-6-17(16)25-28)21(30)31-22(3,4)5;1-11-8-13(9-12(2)16(11)20)24-17(21)14-10-23(7-6-15(14)22-24)18(25)26-19(3,4)5;1-11-8-3-2-7(9)4-6(8)5-10-11;1-5-3-7(11-10)4-6(2)8(5)9;7-3-5-4-9-2-1-6(5)8;1-8-5(9-2)3-6-4-7;;/h10-11,19H,8-9,12-13H2,1-7H3,(H2,26,27,31);7,9-11H,6,8,12H2,1-5H3,(H,24,29);8-9H,6-7,10,21H2,1-5H3;2-5H,1H3;3-4,11H,10H2,1-2H3;8-9H,1-2,4H2;5H,3H2,1-2H3;1H;/q;;;;;-1;;;+1
• InChIKey: RIAUIOQPIVBPHF-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 428.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.39
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride?

The IUPAC name of potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride (CID 158093915) is potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride.

What is the SMILES notation for potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride?

The canonical SMILES for potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride is COC(CN=C=O)OC.COC(CNC(=O)Nc1c2c(nn1-c1cc(C)c(Cl)c(C)c1)CCN(C(=O)OC(C)(C)C)C2)OC.Cc1cc(-n2nc3c(c2-n2cc[nH]c2=O)CN(C(=O)OC(C)(C)C)CC3)cc(C)c1Cl.Cc1cc(-n2nc3c(c2N)CN(C(=O)OC(C)(C)C)CC3)cc(C)c1Cl.Cc1cc(NN)cc(C)c1Cl.Cl.Cn1ncc2cc(Br)ccc21.N#CC1=C([NH-])CCNC1.[K+].

What is the InChIKey of potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride?

The InChIKey is RIAUIOQPIVBPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN5O5.C22H26ClN5O3.C19H25ClN4O2.C8H7BrN2.C8H11ClN2.C6H8N3.C5H9NO3.ClH.K/c1-14-10-16(11-15(2)20(14)25)30-21(27-22(31)26-12-19(33-6)34-7)17-13-29(9-8-18(17)28-30)23(32)35-24(3,4)5;1-13-10-15(11-14(2)18(13)23)28-19(27-9-7-24-20(27)29)16-12-26(8-6-17(16)25-28)21(30)31-22(3,4)5;1-11-8-13(9-12(2)16(11)20)24-17(21)14-10-23(7-6-15(14)22-24)18(25)26-19(3,4)5;1-11-8-3-2-7(9)4-6(8)5-10-11;1-5-3-7(11-10)4-6(2)8(5)9;7-3-5-4-9-2-1-6(5)8;1-8-5(9-2)3-6-4-7;;/h10-11,19H,8-9,12-13H2,1-7H3,(H2,26,27,31);7,9-11H,6,8,12H2,1-5H3,(H,24,29);8-9H,6-7,10,21H2,1-5H3;2-5H,1H3;3-4,11H,10H2,1-2H3;8-9H,1-2,4H2;5H,3H2,1-2H3;1H;/q;;;;;-1;;;+1.

What are the key properties of potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride?

potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride has a molecular weight of 2039.39 g/mol, XLogP of 14.86, 14 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromo-1-methylindazole;tert-butyl 3-amino-2-(4-chloro-3,5-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2,2-dimethoxyethylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 2-(4-chloro-3,5-dimethylphenyl)-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;(4-chloro-3,5-dimethylphenyl)hydrazine;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;2-isocyanato-1,1-dimethoxyethane;hydrochloride is sourced from PubChem (CID 158093915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).