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

C17H17N9O — CID 118214047

IUPAC2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3c(n2)N(Cc2cc4ncccc4[nH]2)NN3)cn1
InChIInChI=1S/C17H17N9O/c27-5-4-25-9-11(7-20-25)15-8-19-16-17(22-15)26(24-23-16)10-12-6-14-13(21-12)2-1-3-18-14/h1-3,6-9,21,24,27H,4-5,10H2,(H,19,23)
InChIKeyDSMAOLWPYVQPJC-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.06
Rot. Bonds5

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

2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 118214047) has the molecular formula C17H17N9O and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID118214047
Molecular FormulaC17H17N9O
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3c(n2)N(Cc2cc4ncccc4[nH]2)NN3)cn1
InChIInChI=1S/C17H17N9O/c27-5-4-25-9-11(7-20-25)15-8-19-16-17(22-15)26(24-23-16)10-12-6-14-13(21-12)2-1-3-18-14/h1-3,6-9,21,24,27H,4-5,10H2,(H,19,23)
InChIKeyDSMAOLWPYVQPJC-UHFFFAOYSA-N
XLogP1.06
TPSA119.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 118214047) is 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cnc3c(n2)N(Cc2cc4ncccc4[nH]2)NN3)cn1.
What is the InChIKey of 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is DSMAOLWPYVQPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O/c27-5-4-25-9-11(7-20-25)15-8-19-16-17(22-15)26(24-23-16)10-12-6-14-13(21-12)2-1-3-18-14/h1-3,6-9,21,24,27H,4-5,10H2,(H,19,23).
What are the key properties of 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 363.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 118214047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).