6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

C25H25N7 — CID 139326715

IUPAC6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ncnn2c1
InChIInChI=1S/C25H25N7/c1-18-13-22(25-27-17-28-32(25)16-18)23-15-26-24-14-20(7-8-31(23)24)19-3-5-21(6-4-19)30-11-9-29(2)10-12-30/h3-8,13-17H,9-12H2,1-2H3
InChIKeyFNTYRAXABZFGFA-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.77
Rot. Bonds3

About 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 139326715) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID139326715
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ncnn2c1
InChIInChI=1S/C25H25N7/c1-18-13-22(25-27-17-28-32(25)16-18)23-15-26-24-14-20(7-8-31(23)24)19-3-5-21(6-4-19)30-11-9-29(2)10-12-30/h3-8,13-17H,9-12H2,1-2H3
InChIKeyFNTYRAXABZFGFA-UHFFFAOYSA-N
XLogP3.77
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 139326715) is 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ncnn2c1.
What is the InChIKey of 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FNTYRAXABZFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-18-13-22(25-27-17-28-32(25)16-18)23-15-26-24-14-20(7-8-31(23)24)19-3-5-21(6-4-19)30-11-9-29(2)10-12-30/h3-8,13-17H,9-12H2,1-2H3.
What are the key properties of 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 423.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 139326715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).