6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine

C28H27N9 — CID 171090137

IUPAC6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1nccn2nc(Cc3cn4cc(C5CC5)ccc4n3)nc12
InChIInChI=1S/C28H27N9/c1-16-11-22-21(7-8-30-26(22)29)17(2)23(16)13-32-27-28-34-24(35-37(28)10-9-31-27)12-20-15-36-14-19(18-3-4-18)5-6-25(36)33-20/h5-11,14-15,18H,3-4,12-13H2,1-2H3,(H2,29,30)(H,31,32)
InChIKeyHLLXXAKBOQVDPX-UHFFFAOYSA-N
MW489.59 g/mol
LogP4.60
Rot. Bonds6

About 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine

6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine (PubChem CID 171090137) has the molecular formula C28H27N9 and a molecular weight of 489.59 g/mol. Its IUPAC name is 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
PubChem CID171090137
Molecular FormulaC28H27N9
Molecular Weight489.59 g/mol
Exact Mass489.24
IUPAC Name6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1nccn2nc(Cc3cn4cc(C5CC5)ccc4n3)nc12
InChIInChI=1S/C28H27N9/c1-16-11-22-21(7-8-30-26(22)29)17(2)23(16)13-32-27-28-34-24(35-37(28)10-9-31-27)12-20-15-36-14-19(18-3-4-18)5-6-25(36)33-20/h5-11,14-15,18H,3-4,12-13H2,1-2H3,(H2,29,30)(H,31,32)
InChIKeyHLLXXAKBOQVDPX-UHFFFAOYSA-N
XLogP4.60
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?
The IUPAC name of 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine (CID 171090137) is 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine.
What is the SMILES notation for 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?
The canonical SMILES for 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine is Cc1cc2c(N)nccc2c(C)c1CNc1nccn2nc(Cc3cn4cc(C5CC5)ccc4n3)nc12.
What is the InChIKey of 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?
The InChIKey is HLLXXAKBOQVDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N9/c1-16-11-22-21(7-8-30-26(22)29)17(2)23(16)13-32-27-28-34-24(35-37(28)10-9-31-27)12-20-15-36-14-19(18-3-4-18)5-6-25(36)33-20/h5-11,14-15,18H,3-4,12-13H2,1-2H3,(H2,29,30)(H,31,32).
What are the key properties of 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?
6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine has a molecular weight of 489.59 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine is sourced from PubChem (CID 171090137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).