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

C17H15N9O — CID 53262572

IUPAC2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5[nH]4)c3n2)cn1
InChIInChI=1S/C17H15N9O/c27-5-4-25-9-12(7-20-25)14-8-19-16-17(22-14)26(24-23-16)10-13-6-11-2-1-3-18-15(11)21-13/h1-3,6-9,27H,4-5,10H2,(H,18,21)
InChIKeyZXAZVWAHKQFAIL-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.00
Rot. Bonds5

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

2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 53262572) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID53262572
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5[nH]4)c3n2)cn1
InChIInChI=1S/C17H15N9O/c27-5-4-25-9-12(7-20-25)14-8-19-16-17(22-14)26(24-23-16)10-13-6-11-2-1-3-18-15(11)21-13/h1-3,6-9,27H,4-5,10H2,(H,18,21)
InChIKeyZXAZVWAHKQFAIL-UHFFFAOYSA-N
XLogP1.00
TPSA123.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol 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 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 53262572) is 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5[nH]4)c3n2)cn1.
What is the InChIKey of 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is ZXAZVWAHKQFAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c27-5-4-25-9-12(7-20-25)14-8-19-16-17(22-14)26(24-23-16)10-13-6-11-2-1-3-18-15(11)21-13/h1-3,6-9,27H,4-5,10H2,(H,18,21).
What are the key properties of 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 361.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 53262572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).