2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C17H15N9O — CID 54759543

IUPAC2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C17H15N9O/c27-6-5-25-11-13(7-20-25)14-8-19-16-17(21-14)26(23-22-16)10-12-1-2-15-18-3-4-24(15)9-12/h1-4,7-9,11,27H,5-6,10H2
InChIKeyHNVLBGNNYXOXLM-UHFFFAOYSA-N
MW361.37 g/mol
LogP0.77
Rot. Bonds5

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

2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 54759543) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID54759543
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C17H15N9O/c27-6-5-25-11-13(7-20-25)14-8-19-16-17(21-14)26(23-22-16)10-12-1-2-15-18-3-4-24(15)9-12/h1-4,7-9,11,27H,5-6,10H2
InChIKeyHNVLBGNNYXOXLM-UHFFFAOYSA-N
XLogP0.77
TPSA111.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 54759543) is 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1.
What is the InChIKey of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is HNVLBGNNYXOXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c27-6-5-25-11-13(7-20-25)14-8-19-16-17(21-14)26(23-22-16)10-12-1-2-15-18-3-4-24(15)9-12/h1-4,7-9,11,27H,5-6,10H2.
What are the key properties of 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 361.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 54759543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).