tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone

C122H123N23O14 — CID 159824817

About tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone

tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone (PubChem CID 159824817) has the molecular formula C122H123N23O14 and a molecular weight of 2135.47 g/mol. Its IUPAC name is tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone
• PubChem CID: 159824817
• Molecular Formula: C122H123N23O14
• Molecular Weight: 2135.47 g/mol
• Exact Mass: 2133.96
• IUPAC Name: tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone
• SMILES: C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.CC(C)(C)OC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.CC(C)(C)OC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)O)cc3)n2)C1.COC(=O)c1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cc3cn[nH]c23)cc1.O=C(Cc1ccccn1)c1ccc(-c2nc(C3CCNC3)cc3cn[nH]c23)cc1
• InChI: InChI=1S/C28H29N5O3.C26H23N5O2.C23H21N5O.C23H26N4O4.C22H24N4O4/c1-28(2,3)36-27(35)33-13-11-20(17-33)23-14-21-16-30-32-26(21)25(31-23)19-9-7-18(8-10-19)24(34)15-22-6-4-5-12-29-22;1-2-24(33)31-12-10-19(16-31)22-13-20-15-28-30-26(20)25(29-22)18-8-6-17(7-9-18)23(32)14-21-5-3-4-11-27-21;29-21(12-19-3-1-2-9-25-19)15-4-6-16(7-5-15)22-23-18(14-26-28-23)11-20(27-22)17-8-10-24-13-17;1-23(2,3)31-22(29)27-10-9-16(13-27)18-11-17-12-24-26-20(17)19(25-18)14-5-7-15(8-6-14)21(28)30-4;1-22(2,3)30-21(29)26-9-8-15(12-26)17-10-16-11-23-25-19(16)18(24-17)13-4-6-14(7-5-13)20(27)28/h4-10,12,14,16,20H,11,13,15,17H2,1-3H3,(H,30,32);2-9,11,13,15,19H,1,10,12,14,16H2,(H,28,30);1-7,9,11,14,17,24H,8,10,12-13H2,(H,26,28);5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,26);4-7,10-11,15H,8-9,12H2,1-3H3,(H,23,25)(H,27,28)
• InChIKey: NMRWRTHICGNTDP-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 482.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2135.47
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone?

The IUPAC name of tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone (CID 159824817) is tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone.

What is the SMILES notation for tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone?

The canonical SMILES for tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone is C=CC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.CC(C)(C)OC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)Cc4ccccn4)cc3)n2)C1.CC(C)(C)OC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)O)cc3)n2)C1.COC(=O)c1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)C3)cc3cn[nH]c23)cc1.O=C(Cc1ccccn1)c1ccc(-c2nc(C3CCNC3)cc3cn[nH]c23)cc1.

What is the InChIKey of tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone?

The InChIKey is NMRWRTHICGNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3.C26H23N5O2.C23H21N5O.C23H26N4O4.C22H24N4O4/c1-28(2,3)36-27(35)33-13-11-20(17-33)23-14-21-16-30-32-26(21)25(31-23)19-9-7-18(8-10-19)24(34)15-22-6-4-5-12-29-22;1-2-24(33)31-12-10-19(16-31)22-13-20-15-28-30-26(20)25(29-22)18-8-6-17(7-9-18)23(32)14-21-5-3-4-11-27-21;29-21(12-19-3-1-2-9-25-19)15-4-6-16(7-5-15)22-23-18(14-26-28-23)11-20(27-22)17-8-10-24-13-17;1-23(2,3)31-22(29)27-10-9-16(13-27)18-11-17-12-24-26-20(17)19(25-18)14-5-7-15(8-6-14)21(28)30-4;1-22(2,3)30-21(29)26-9-8-15(12-26)17-10-16-11-23-25-19(16)18(24-17)13-4-6-14(7-5-13)20(27)28/h4-10,12,14,16,20H,11,13,15,17H2,1-3H3,(H,30,32);2-9,11,13,15,19H,1,10,12,14,16H2,(H,28,30);1-7,9,11,14,17,24H,8,10,12-13H2,(H,26,28);5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,26);4-7,10-11,15H,8-9,12H2,1-3H3,(H,23,25)(H,27,28).

What are the key properties of tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone?

tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone has a molecular weight of 2135.47 g/mol, XLogP of 20.82, 22 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone is sourced from PubChem (CID 159824817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).