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

C16H13N9 — CID 53261691

IUPAC3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C16H13N9/c1-23-10-12(6-19-23)13-7-18-15-16(20-13)25(22-21-15)9-11-2-3-14-17-4-5-24(14)8-11/h2-8,10H,9H2,1H3
InChIKeyHWQZQGUNPZBXNP-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.32
Rot. Bonds3

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

3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (PubChem CID 53261691) has the molecular formula C16H13N9 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
PubChem CID53261691
Molecular FormulaC16H13N9
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C16H13N9/c1-23-10-12(6-19-23)13-7-18-15-16(20-13)25(22-21-15)9-11-2-3-14-17-4-5-24(14)8-11/h2-8,10H,9H2,1H3
InChIKeyHWQZQGUNPZBXNP-UHFFFAOYSA-N
XLogP1.32
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (CID 53261691) is 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is Cn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The InChIKey is HWQZQGUNPZBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N9/c1-23-10-12(6-19-23)13-7-18-15-16(20-13)25(22-21-15)9-11-2-3-14-17-4-5-24(14)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine has a molecular weight of 331.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 53261691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).