1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C30H29ClN6O2 — CID 171523057

About 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171523057) has the molecular formula C30H29ClN6O2 and a molecular weight of 541.06 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 171523057
• Molecular Formula: C30H29ClN6O2
• Molecular Weight: 541.06 g/mol
• Exact Mass: 540.20
• IUPAC Name: 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: Cc1ccncc1CNC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccc3c(c1)CNC[C@@H]3C)C2=O
• InChI: InChI=1S/C30H29ClN6O2/c1-18-8-10-32-16-21(18)17-34-29(38)27-26-9-11-36(23-6-7-25-19(2)14-33-15-20(25)12-23)30(39)28(26)37(35-27)24-5-3-4-22(31)13-24/h3-8,10,12-13,16,19,33H,9,11,14-15,17H2,1-2H3,(H,34,38)/t19-/m0/s1
• InChIKey: CICKDXHHMRDAGM-IBGZPJMESA-N
• XLogP: 4.57
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.06
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171523057) is 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ccncc1CNC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccc3c(c1)CNC[C@@H]3C)C2=O.

What is the InChIKey of 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is CICKDXHHMRDAGM-IBGZPJMESA-N. The full InChI is InChI=1S/C30H29ClN6O2/c1-18-8-10-32-16-21(18)17-34-29(38)27-26-9-11-36(23-6-7-25-19(2)14-33-15-20(25)12-23)30(39)28(26)37(35-27)24-5-3-4-22(31)13-24/h3-8,10,12-13,16,19,33H,9,11,14-15,17H2,1-2H3,(H,34,38)/t19-/m0/s1.

What are the key properties of 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 541.06 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]-6-[(4R)-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171523057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).