2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane

C123H134N18O15 — CID 159685523

About 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane

2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane (PubChem CID 159685523) has the molecular formula C123H134N18O15 and a molecular weight of 2104.54 g/mol. Its IUPAC name is 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane
• PubChem CID: 159685523
• Molecular Formula: C123H134N18O15
• Molecular Weight: 2104.54 g/mol
• Exact Mass: 2103.03
• IUPAC Name: 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane
• SMILES: C.C.CCCN(Cc1cccc2ccccc12)C(=O)c1nn(CCO)c2c1CN(Cc1ccc(OC)c3ccccc13)CC2.COc1ccc(CN2CCc3c(c(C(=O)N(COC=O)Cc4cccc5ccccc45)nn3CCO)C2)c2ccccc12.Cc1cccc2c(CN3CCc4c(c(C(=O)NCc5ccccc5)nn4CCO)C3)c[nH]c12.O=C(O)Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3ccccc13)C2.O=C=O
• InChI: InChI=1S/C35H38N4O3.C34H34N4O5.C26H29N5O2.C25H25N5O3.CO2.2CH4/c1-3-18-38(23-26-11-8-10-25-9-4-5-12-28(25)26)35(41)34-31-24-37(19-17-32(31)39(36-34)20-21-40)22-27-15-16-33(42-2)30-14-7-6-13-29(27)30;1-42-32-14-13-26(28-11-4-5-12-29(28)32)19-36-16-15-31-30(21-36)33(35-38(31)17-18-39)34(41)37(22-43-23-40)20-25-9-6-8-24-7-2-3-10-27(24)25;1-18-6-5-9-21-20(15-27-24(18)21)16-30-11-10-23-22(17-30)25(29-31(23)12-13-32)26(33)28-14-19-7-3-2-4-8-19;31-23(32)16-30-22-10-11-29(14-18-13-26-21-9-5-4-8-19(18)21)15-20(22)24(28-30)25(33)27-12-17-6-2-1-3-7-17;2-1-3;;/h4-16,40H,3,17-24H2,1-2H3;2-14,23,39H,15-22H2,1H3;2-9,15,27,32H,10-14,16-17H2,1H3,(H,28,33);1-9,13,26H,10-12,14-16H2,(H,27,33)(H,31,32);;2*1H4
• InChIKey: MVTAEYWJIKSKTN-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 391.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.54
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane?

The IUPAC name of 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane (CID 159685523) is 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane.

What is the SMILES notation for 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane?

The canonical SMILES for 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane is C.C.CCCN(Cc1cccc2ccccc12)C(=O)c1nn(CCO)c2c1CN(Cc1ccc(OC)c3ccccc13)CC2.COc1ccc(CN2CCc3c(c(C(=O)N(COC=O)Cc4cccc5ccccc45)nn3CCO)C2)c2ccccc12.Cc1cccc2c(CN3CCc4c(c(C(=O)NCc5ccccc5)nn4CCO)C3)c[nH]c12.O=C(O)Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3ccccc13)C2.O=C=O.

What is the InChIKey of 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane?

The InChIKey is MVTAEYWJIKSKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O3.C34H34N4O5.C26H29N5O2.C25H25N5O3.CO2.2CH4/c1-3-18-38(23-26-11-8-10-25-9-4-5-12-28(25)26)35(41)34-31-24-37(19-17-32(31)39(36-34)20-21-40)22-27-15-16-33(42-2)30-14-7-6-13-29(27)30;1-42-32-14-13-26(28-11-4-5-12-29(28)32)19-36-16-15-31-30(21-36)33(35-38(31)17-18-39)34(41)37(22-43-23-40)20-25-9-6-8-24-7-2-3-10-27(24)25;1-18-6-5-9-21-20(15-27-24(18)21)16-30-11-10-23-22(17-30)25(29-31(23)12-13-32)26(33)28-14-19-7-3-2-4-8-19;31-23(32)16-30-22-10-11-29(14-18-13-26-21-9-5-4-8-19(18)21)15-20(22)24(28-30)25(33)27-12-17-6-2-1-3-7-17;2-1-3;;/h4-16,40H,3,17-24H2,1-2H3;2-14,23,39H,15-22H2,1H3;2-9,15,27,32H,10-14,16-17H2,1H3,(H,28,33);1-9,13,26H,10-12,14-16H2,(H,27,33)(H,31,32);;2*1H4.

What are the key properties of 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane?

2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane has a molecular weight of 2104.54 g/mol, XLogP of 17.10, 35 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(benzylcarbamoyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid;N-benzyl-1-(2-hydroxyethyl)-5-[(7-methyl-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;carbon dioxide;[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-(naphthalen-1-ylmethyl)amino]methyl formate;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-N-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;methane is sourced from PubChem (CID 159685523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).