3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one

C14H18N2O3 — CID 14151949

IUPAC3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
SMILESCC(CO)C(=O)c1c(C(C)(C)O)nn2ccccc12
InChIInChI=1S/C14H18N2O3/c1-9(8-17)12(18)11-10-6-4-5-7-16(10)15-13(11)14(2,3)19/h4-7,9,17,19H,8H2,1-3H3
InChIKeyFUFJRWDPTPIJHO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.37
Rot. Bonds4

About 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one

3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one (PubChem CID 14151949) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
PubChem CID14151949
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
SMILESCC(CO)C(=O)c1c(C(C)(C)O)nn2ccccc12
InChIInChI=1S/C14H18N2O3/c1-9(8-17)12(18)11-10-6-4-5-7-16(10)15-13(11)14(2,3)19/h4-7,9,17,19H,8H2,1-3H3
InChIKeyFUFJRWDPTPIJHO-UHFFFAOYSA-N
XLogP1.37
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
The IUPAC name of 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one (CID 14151949) is 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one is CC(CO)C(=O)c1c(C(C)(C)O)nn2ccccc12.
What is the InChIKey of 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
The InChIKey is FUFJRWDPTPIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(8-17)12(18)11-10-6-4-5-7-16(10)15-13(11)14(2,3)19/h4-7,9,17,19H,8H2,1-3H3.
What are the key properties of 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one?
3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one has a molecular weight of 262.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 14151949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).