2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid

C19H19N5O3 — CID 74242263

IUPAC2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2cnccn2)cc1CN1CCc2[nH]ncc2C1
InChIInChI=1S/C19H19N5O3/c25-19(26)12-27-18-2-1-13(17-9-20-4-5-21-17)7-14(18)10-24-6-3-16-15(11-24)8-22-23-16/h1-2,4-5,7-9H,3,6,10-12H2,(H,22,23)(H,25,26)
InChIKeyZYMAPWGVQGNVGU-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.89
Rot. Bonds6

About 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid

2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid (PubChem CID 74242263) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid
PubChem CID74242263
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2cnccn2)cc1CN1CCc2[nH]ncc2C1
InChIInChI=1S/C19H19N5O3/c25-19(26)12-27-18-2-1-13(17-9-20-4-5-21-17)7-14(18)10-24-6-3-16-15(11-24)8-22-23-16/h1-2,4-5,7-9H,3,6,10-12H2,(H,22,23)(H,25,26)
InChIKeyZYMAPWGVQGNVGU-UHFFFAOYSA-N
XLogP1.89
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid (CID 74242263) is 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2cnccn2)cc1CN1CCc2[nH]ncc2C1.
What is the InChIKey of 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid?
The InChIKey is ZYMAPWGVQGNVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-19(26)12-27-18-2-1-13(17-9-20-4-5-21-17)7-14(18)10-24-6-3-16-15(11-24)8-22-23-16/h1-2,4-5,7-9H,3,6,10-12H2,(H,22,23)(H,25,26).
What are the key properties of 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid?
2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid is sourced from PubChem (CID 74242263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).