1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C28H29N7O2 — CID 10458472

About 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 10458472) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 10458472
• Molecular Formula: C28H29N7O2
• Molecular Weight: 495.59 g/mol
• Exact Mass: 495.24
• IUPAC Name: 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: CN(C)CC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc6ccnc(N)c6c5)c4C3=O)cc2)CC1
• InChI: InChI=1S/C28H29N7O2/c1-33(2)16-28(11-12-28)18-4-7-19(8-5-18)34-14-10-21-23(26(30)36)32-35(24(21)27(34)37)20-6-3-17-9-13-31-25(29)22(17)15-20/h3-9,13,15H,10-12,14,16H2,1-2H3,(H2,29,31)(H2,30,36)
• InChIKey: VGTDVTHNCUYFTJ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 123.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.59
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 10458472) is 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CN(C)CC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc6ccnc(N)c6c5)c4C3=O)cc2)CC1.

What is the InChIKey of 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is VGTDVTHNCUYFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-33(2)16-28(11-12-28)18-4-7-19(8-5-18)34-14-10-21-23(26(30)36)32-35(24(21)27(34)37)20-6-3-17-9-13-31-25(29)22(17)15-20/h3-9,13,15H,10-12,14,16H2,1-2H3,(H2,29,31)(H2,30,36).

What are the key properties of 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-aminoisoquinolin-7-yl)-6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 10458472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).