3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

C16H12ClN9 — CID 53262254

IUPAC3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncc(Cl)n5c4)c3n2)cn1
InChIInChI=1S/C16H12ClN9/c1-24-9-11(4-20-24)12-5-19-15-16(21-12)26(23-22-15)8-10-2-3-14-18-6-13(17)25(14)7-10/h2-7,9H,8H2,1H3
InChIKeyVPQPPWMGAQYRJN-UHFFFAOYSA-N
MW365.79 g/mol
LogP1.97
Rot. Bonds3

About 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (PubChem CID 53262254) has the molecular formula C16H12ClN9 and a molecular weight of 365.79 g/mol. Its IUPAC name is 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
PubChem CID53262254
Molecular FormulaC16H12ClN9
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncc(Cl)n5c4)c3n2)cn1
InChIInChI=1S/C16H12ClN9/c1-24-9-11(4-20-24)12-5-19-15-16(21-12)26(23-22-15)8-10-2-3-14-18-6-13(17)25(14)7-10/h2-7,9H,8H2,1H3
InChIKeyVPQPPWMGAQYRJN-UHFFFAOYSA-N
XLogP1.97
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine 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 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The IUPAC name of 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (CID 53262254) is 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is Cn1cc(-c2cnc3nnn(Cc4ccc5ncc(Cl)n5c4)c3n2)cn1.
What is the InChIKey of 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The InChIKey is VPQPPWMGAQYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN9/c1-24-9-11(4-20-24)12-5-19-15-16(21-12)26(23-22-15)8-10-2-3-14-18-6-13(17)25(14)7-10/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine has a molecular weight of 365.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 53262254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).