tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine

C134H163FN26O19 — CID 165052035

About tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine

tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine (PubChem CID 165052035) has the molecular formula C134H163FN26O19 and a molecular weight of 2460.94 g/mol. Its IUPAC name is tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
• PubChem CID: 165052035
• Molecular Formula: C134H163FN26O19
• Molecular Weight: 2460.94 g/mol
• Exact Mass: 2459.26
• IUPAC Name: tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine
• SMILES: C1=NCC2=C1NCCC2.C1=NCc2cccnc21.CC(C)(C)OC(=O)N1CCCC2=C1C=NC2.CCOC(=O)c1c2c(nn1-c1ccc(C#N)cc1C)CCCN2C(=O)OC(C)(C)C.CCOC(=O)c1c2c(nn1-c1ccc(CN)cc1C)CCCN2C(=O)OC(C)(C)C.CCOc1cc(C#N)ccc1-n1cc2c(n1)CCCN2C(=O)OC(C)(C)C.COc1ccc(F)cc1C(=O)NCc1ccc(-n2nc3c(c2C(N)=O)CCCC3)c(C)c1.[C-]#[N+]c1ccc(-n2ncc3c2CCCN3C(=O)OC(C)(C)C)c(OCC)c1
• InChI: InChI=1S/C24H25FN4O3.C22H30N4O4.C22H26N4O4.2C20H24N4O3.C12H18N2O2.C7H10N2.C7H6N2/c1-14-11-15(13-27-24(31)18-12-16(25)8-10-21(18)32-2)7-9-20(14)29-22(23(26)30)17-5-3-4-6-19(17)28-29;2*1-6-29-20(27)19-18-16(8-7-11-25(18)21(28)30-22(3,4)5)24-26(19)17-10-9-15(13-23)12-14(17)2;1-6-26-18-12-14(21-5)9-10-16(18)24-15-8-7-11-23(17(15)13-22-24)19(25)27-20(2,3)4;1-5-26-18-11-14(12-21)8-9-16(18)24-13-17-15(22-24)7-6-10-23(17)19(25)27-20(2,3)4;1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14;2*1-2-6-4-8-5-7(6)9-3-1/h7-12H,3-6,13H2,1-2H3,(H2,26,30)(H,27,31);9-10,12H,6-8,11,13,23H2,1-5H3;9-10,12H,6-8,11H2,1-5H3;9-10,12-13H,6-8,11H2,1-4H3;8-9,11,13H,5-7,10H2,1-4H3;8H,4-7H2,1-3H3;5,9H,1-4H2;1-3,5H,4H2
• InChIKey: PUTRBLWFCOMHSD-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 529.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 19
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2460.94
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?

The IUPAC name of tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine (CID 165052035) is tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine.

What is the SMILES notation for tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?

The canonical SMILES for tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine is C1=NCC2=C1NCCC2.C1=NCc2cccnc21.CC(C)(C)OC(=O)N1CCCC2=C1C=NC2.CCOC(=O)c1c2c(nn1-c1ccc(C#N)cc1C)CCCN2C(=O)OC(C)(C)C.CCOC(=O)c1c2c(nn1-c1ccc(CN)cc1C)CCCN2C(=O)OC(C)(C)C.CCOc1cc(C#N)ccc1-n1cc2c(n1)CCCN2C(=O)OC(C)(C)C.COc1ccc(F)cc1C(=O)NCc1ccc(-n2nc3c(c2C(N)=O)CCCC3)c(C)c1.[C-]#[N+]c1ccc(-n2ncc3c2CCCN3C(=O)OC(C)(C)C)c(OCC)c1.

What is the InChIKey of tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?

The InChIKey is PUTRBLWFCOMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3.C22H30N4O4.C22H26N4O4.2C20H24N4O3.C12H18N2O2.C7H10N2.C7H6N2/c1-14-11-15(13-27-24(31)18-12-16(25)8-10-21(18)32-2)7-9-20(14)29-22(23(26)30)17-5-3-4-6-19(17)28-29;2*1-6-29-20(27)19-18-16(8-7-11-25(18)21(28)30-22(3,4)5)24-26(19)17-10-9-15(13-23)12-14(17)2;1-6-26-18-12-14(21-5)9-10-16(18)24-15-8-7-11-23(17(15)13-22-24)19(25)27-20(2,3)4;1-5-26-18-11-14(12-21)8-9-16(18)24-13-17-15(22-24)7-6-10-23(17)19(25)27-20(2,3)4;1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14;2*1-2-6-4-8-5-7(6)9-3-1/h7-12H,3-6,13H2,1-2H3,(H2,26,30)(H,27,31);9-10,12H,6-8,11,13,23H2,1-5H3;9-10,12H,6-8,11H2,1-5H3;9-10,12-13H,6-8,11H2,1-4H3;8-9,11,13H,5-7,10H2,1-4H3;8H,4-7H2,1-3H3;5,9H,1-4H2;1-3,5H,4H2.

What are the key properties of tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine?

tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine has a molecular weight of 2460.94 g/mol, XLogP of 23.07, 19 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(4-cyano-2-ethoxyphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate;tert-butyl 1-(2-ethoxy-4-isocyanophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate;4-O-tert-butyl 3-O-ethyl 2-[4-(aminomethyl)-2-methylphenyl]-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;4-O-tert-butyl 3-O-ethyl 2-(4-cyano-2-methylphenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-3,4-dicarboxylate;tert-butyl 2,3,4,5-tetrahydropyrrolo[3,4-b]pyridine-1-carboxylate;2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-2-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;5H-pyrrolo[3,4-b]pyridine;2,3,4,5-tetrahydro-1H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 165052035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).