2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C16H14N10O — CID 53261751

IUPAC2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1
InChIInChI=1S/C16H14N10O/c27-5-4-25-8-10(6-19-25)12-7-18-15-16(20-12)26(24-23-15)9-13-11-2-1-3-17-14(11)22-21-13/h1-3,6-8,27H,4-5,9H2,(H,17,21,22)
InChIKeyCJPJJYCEWORKFB-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.40
Rot. Bonds5

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

2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 53261751) has the molecular formula C16H14N10O and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID53261751
Molecular FormulaC16H14N10O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1
InChIInChI=1S/C16H14N10O/c27-5-4-25-8-10(6-19-25)12-7-18-15-16(20-12)26(24-23-15)9-13-11-2-1-3-17-14(11)22-21-13/h1-3,6-8,27H,4-5,9H2,(H,17,21,22)
InChIKeyCJPJJYCEWORKFB-UHFFFAOYSA-N
XLogP0.40
TPSA136.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 53261751) is 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1.
What is the InChIKey of 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is CJPJJYCEWORKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N10O/c27-5-4-25-8-10(6-19-25)12-7-18-15-16(20-12)26(24-23-15)9-13-11-2-1-3-17-14(11)22-21-13/h1-3,6-8,27H,4-5,9H2,(H,17,21,22).
What are the key properties of 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 362.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 53261751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).