N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C122H114N30O11S — CID 157486731

About N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 157486731) has the molecular formula C122H114N30O11S and a molecular weight of 2208.52 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 157486731
• Molecular Formula: C122H114N30O11S
• Molecular Weight: 2208.52 g/mol
• Exact Mass: 2206.90
• IUPAC Name: N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CC(=O)NCCNC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.CCC(COC)NC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.CSCCNC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CC1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCC1CCCO1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCc1ccccn1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCc1ccco1)c1cnc2n[nH]c(-c3ccccc3)c2c1
• InChI: InChI=1S/C19H15N5O.C18H18N4O2.C18H14N4O2.C18H20N4O2.C17H17N5O2.C16H16N4OS.C16H14N4O/c25-19(22-12-15-8-4-5-9-20-15)14-10-16-17(13-6-2-1-3-7-13)23-24-18(16)21-11-14;2*23-18(20-11-14-7-4-8-24-14)13-9-15-16(12-5-2-1-3-6-12)21-22-17(15)19-10-13;1-3-14(11-24-2)20-18(23)13-9-15-16(12-7-5-4-6-8-12)21-22-17(15)19-10-13;1-11(23)18-7-8-19-17(24)13-9-14-15(12-5-3-2-4-6-12)21-22-16(14)20-10-13;1-22-8-7-17-16(21)12-9-13-14(11-5-3-2-4-6-11)19-20-15(13)18-10-12;21-16(18-12-6-7-12)11-8-13-14(10-4-2-1-3-5-10)19-20-15(13)17-9-11/h1-11H,12H2,(H,22,25)(H,21,23,24);1-3,5-6,9-10,14H,4,7-8,11H2,(H,20,23)(H,19,21,22);1-10H,11H2,(H,20,23)(H,19,21,22);4-10,14H,3,11H2,1-2H3,(H,20,23)(H,19,21,22);2-6,9-10H,7-8H2,1H3,(H,18,23)(H,19,24)(H,20,21,22);2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,19,20);1-5,8-9,12H,6-7H2,(H,18,21)(H,17,19,20)
• InChIKey: BWUMJFGTXWFUCQ-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 568.28 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2208.52
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 157486731) is N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is CC(=O)NCCNC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.CCC(COC)NC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.CSCCNC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CC1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCC1CCCO1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCc1ccccn1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCc1ccco1)c1cnc2n[nH]c(-c3ccccc3)c2c1.

What is the InChIKey of N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is BWUMJFGTXWFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O.C18H18N4O2.C18H14N4O2.C18H20N4O2.C17H17N5O2.C16H16N4OS.C16H14N4O/c25-19(22-12-15-8-4-5-9-20-15)14-10-16-17(13-6-2-1-3-7-13)23-24-18(16)21-11-14;2*23-18(20-11-14-7-4-8-24-14)13-9-15-16(12-5-2-1-3-6-12)21-22-17(15)19-10-13;1-3-14(11-24-2)20-18(23)13-9-15-16(12-7-5-4-6-8-12)21-22-17(15)19-10-13;1-11(23)18-7-8-19-17(24)13-9-14-15(12-5-3-2-4-6-12)21-22-16(14)20-10-13;1-22-8-7-17-16(21)12-9-13-14(11-5-3-2-4-6-11)19-20-15(13)18-10-12;21-16(18-12-6-7-12)11-8-13-14(10-4-2-1-3-5-10)19-20-15(13)17-9-11/h1-11H,12H2,(H,22,25)(H,21,23,24);1-3,5-6,9-10,14H,4,7-8,11H2,(H,20,23)(H,19,21,22);1-10H,11H2,(H,20,23)(H,19,21,22);4-10,14H,3,11H2,1-2H3,(H,20,23)(H,19,21,22);2-6,9-10H,7-8H2,1H3,(H,18,23)(H,19,24)(H,20,21,22);2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,19,20);1-5,8-9,12H,6-7H2,(H,18,21)(H,17,19,20).

What are the key properties of N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?

N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 2208.52 g/mol, XLogP of 18.14, 31 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 157486731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).