N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid

C81H70N16O14 — CID 160763230

About N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid

N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid (PubChem CID 160763230) has the molecular formula C81H70N16O14 and a molecular weight of 1491.55 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
• PubChem CID: 160763230
• Molecular Formula: C81H70N16O14
• Molecular Weight: 1491.55 g/mol
• Exact Mass: 1490.53
• IUPAC Name: N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
• SMILES: CNC(=O)c1ncc(OC)c2c(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c[nH]c12.COc1cnc(-c2cc(C(=O)O)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12.COc1cnc(C(=O)NCCO)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12
• InChI: InChI=1S/C28H22N6O5.C27H25N5O5.C26H23N5O4/c1-39-22-13-31-24(20-11-21(28(37)38)33-32-20)25-23(22)18(12-30-25)26(35)27(36)34-10-8-16-15(14-34)5-4-6-17(16)19-7-2-3-9-29-19;1-37-21-14-31-24(26(35)29-10-12-33)23-22(21)19(13-30-23)25(34)27(36)32-11-8-17-16(15-32)5-4-6-18(17)20-7-2-3-9-28-20;1-27-25(33)23-22-21(20(35-2)13-30-23)18(12-29-22)24(32)26(34)31-11-9-16-15(14-31)6-5-7-17(16)19-8-3-4-10-28-19/h2-7,9,11-13,30H,8,10,14H2,1H3,(H,32,33)(H,37,38);2-7,9,13-14,30,33H,8,10-12,15H2,1H3,(H,29,35);3-8,10,12-13,29H,9,11,14H2,1-2H3,(H,27,33)
• InChIKey: RYIQTROTFHBOEB-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 408.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1491.55
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid?

The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid (CID 160763230) is N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid.

What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid?

The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid is CNC(=O)c1ncc(OC)c2c(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c[nH]c12.COc1cnc(-c2cc(C(=O)O)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12.COc1cnc(C(=O)NCCO)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12.

What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid?

The InChIKey is RYIQTROTFHBOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O5.C27H25N5O5.C26H23N5O4/c1-39-22-13-31-24(20-11-21(28(37)38)33-32-20)25-23(22)18(12-30-25)26(35)27(36)34-10-8-16-15(14-34)5-4-6-17(16)19-7-2-3-9-29-19;1-37-21-14-31-24(26(35)29-10-12-33)23-22(21)19(13-30-23)25(34)27(36)32-11-8-17-16(15-32)5-4-6-18(17)20-7-2-3-9-28-20;1-27-25(33)23-22-21(20(35-2)13-30-23)18(12-29-22)24(32)26(34)31-11-9-16-15(14-31)6-5-7-17(16)19-8-3-4-10-28-19/h2-7,9,11-13,30H,8,10,14H2,1H3,(H,32,33)(H,37,38);2-7,9,13-14,30,33H,8,10-12,15H2,1H3,(H,29,35);3-8,10,12-13,29H,9,11,14H2,1-2H3,(H,27,33).

What are the key properties of N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid?

N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 1491.55 g/mol, XLogP of 8.37, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;4-methoxy-N-methyl-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide;3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 160763230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).