6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine

C28H27N9 — CID 171090650

About 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine

6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine (PubChem CID 171090650) has the molecular formula C28H27N9 and a molecular weight of 489.59 g/mol. Its IUPAC name is 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine.

Molecular Properties

• Compound Name: 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
• PubChem CID: 171090650
• Molecular Formula: C28H27N9
• Molecular Weight: 489.59 g/mol
• Exact Mass: 489.24
• IUPAC Name: 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
• SMILES: Cc1cc2c(N)nccc2c(C)c1CNc1nccc2c1cnn2Cc1cn2cc(C3CC3)cnc2n1
• InChI: InChI=1S/C28H27N9/c1-16-9-22-21(5-7-30-26(22)29)17(2)23(16)11-32-27-24-12-34-37(25(24)6-8-31-27)15-20-14-36-13-19(18-3-4-18)10-33-28(36)35-20/h5-10,12-14,18H,3-4,11,15H2,1-2H3,(H2,29,30)(H,31,32)
• InChIKey: NEDMIJXQJXIRRH-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 111.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.59
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

The IUPAC name of 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine (CID 171090650) is 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine.

What is the SMILES notation for 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

The canonical SMILES for 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine is Cc1cc2c(N)nccc2c(C)c1CNc1nccc2c1cnn2Cc1cn2cc(C3CC3)cnc2n1.

What is the InChIKey of 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

The InChIKey is NEDMIJXQJXIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N9/c1-16-9-22-21(5-7-30-26(22)29)17(2)23(16)11-32-27-24-12-34-37(25(24)6-8-31-27)15-20-14-36-13-19(18-3-4-18)10-33-28(36)35-20/h5-10,12-14,18H,3-4,11,15H2,1-2H3,(H2,29,30)(H,31,32).

What are the key properties of 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine has a molecular weight of 489.59 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine is sourced from PubChem (CID 171090650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).