N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

C110H111N17O7 — CID 159774710

About N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (PubChem CID 159774710) has the molecular formula C110H111N17O7 and a molecular weight of 1783.21 g/mol. Its IUPAC name is N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.

Molecular Properties

• Compound Name: N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
• PubChem CID: 159774710
• Molecular Formula: C110H111N17O7
• Molecular Weight: 1783.21 g/mol
• Exact Mass: 1781.89
• IUPAC Name: N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
• SMILES: COc1ccc(CN2CCc3nn(CCO)c(C(=O)NCc4cccc5ccccc45)c3C2)c2ccccc12.COc1ccc(CN2CCc3nn4c(c3C2)C(=O)N(Cc2cccc3ccccc23)CC4)c2ccccc12.Cn1nc2c(c1C(=O)NCc1ccccc1)CN(Cc1c[nH]c3ccccc13)CC2.Cn1nc2c(c1C(=O)NCc1ccccc1)CN(Cc1ccccc1)CC2
• InChI: InChI=1S/C32H32N4O3.C32H30N4O2.C24H25N5O.C22H24N4O/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-35-16-15-29-28(21-35)31(36(34-29)17-18-37)32(38)33-19-23-9-6-8-22-7-2-3-10-25(22)23;1-38-30-14-13-24(26-11-4-5-12-27(26)30)19-34-16-15-29-28(21-34)31-32(37)35(17-18-36(31)33-29)20-23-9-6-8-22-7-2-3-10-25(22)23;1-28-23(24(30)26-13-17-7-3-2-4-8-17)20-16-29(12-11-22(20)27-28)15-18-14-25-21-10-6-5-9-19(18)21;1-25-21(22(27)23-14-17-8-4-2-5-9-17)19-16-26(13-12-20(19)24-25)15-18-10-6-3-7-11-18/h2-14,37H,15-21H2,1H3,(H,33,38);2-14H,15-21H2,1H3;2-10,14,25H,11-13,15-16H2,1H3,(H,26,30);2-11H,12-16H2,1H3,(H,23,27)
• InChIKey: NGOVNCLUWSUDAH-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 246.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.21
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?

The IUPAC name of N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (CID 159774710) is N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.

What is the SMILES notation for N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?

The canonical SMILES for N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is COc1ccc(CN2CCc3nn(CCO)c(C(=O)NCc4cccc5ccccc45)c3C2)c2ccccc12.COc1ccc(CN2CCc3nn4c(c3C2)C(=O)N(Cc2cccc3ccccc23)CC4)c2ccccc12.Cn1nc2c(c1C(=O)NCc1ccccc1)CN(Cc1c[nH]c3ccccc13)CC2.Cn1nc2c(c1C(=O)NCc1ccccc1)CN(Cc1ccccc1)CC2.

What is the InChIKey of N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?

The InChIKey is NGOVNCLUWSUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3.C32H30N4O2.C24H25N5O.C22H24N4O/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-35-16-15-29-28(21-35)31(36(34-29)17-18-37)32(38)33-19-23-9-6-8-22-7-2-3-10-25(22)23;1-38-30-14-13-24(26-11-4-5-12-27(26)30)19-34-16-15-29-28(21-34)31-32(37)35(17-18-36(31)33-29)20-23-9-6-8-22-7-2-3-10-25(22)23;1-28-23(24(30)26-13-17-7-3-2-4-8-17)20-16-29(12-11-22(20)27-28)15-18-14-25-21-10-6-5-9-19(18)21;1-25-21(22(27)23-14-17-8-4-2-5-9-17)19-16-26(13-12-20(19)24-25)15-18-10-6-3-7-11-18/h2-14,37H,15-21H2,1H3,(H,33,38);2-14H,15-21H2,1H3;2-10,14,25H,11-13,15-16H2,1H3,(H,26,30);2-11H,12-16H2,1H3,(H,23,27).

What are the key properties of N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?

N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one has a molecular weight of 1783.21 g/mol, XLogP of 16.39, 23 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-(1H-indol-3-ylmethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;12-[(4-methoxynaphthalen-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is sourced from PubChem (CID 159774710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).