1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol

C28H38N4O3 — CID 69288934

IUPAC1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol
SMILESCC(C)C(=O)c1c(C(C)(C)O)nn2ccccc12.CC(C)c1nn2ccccc2c1C(O)C(C)C
InChIInChI=1S/C14H18N2O2.C14H20N2O/c1-9(2)12(17)11-10-7-5-6-8-16(10)15-13(11)14(3,4)18;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-9,18H,1-4H3;5-10,14,17H,1-4H3
InChIKeyUKZJWEQJAPKNOU-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.55
Rot. Bonds6

About 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol

1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol (PubChem CID 69288934) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol
PubChem CID69288934
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol
SMILESCC(C)C(=O)c1c(C(C)(C)O)nn2ccccc12.CC(C)c1nn2ccccc2c1C(O)C(C)C
InChIInChI=1S/C14H18N2O2.C14H20N2O/c1-9(2)12(17)11-10-7-5-6-8-16(10)15-13(11)14(3,4)18;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-9,18H,1-4H3;5-10,14,17H,1-4H3
InChIKeyUKZJWEQJAPKNOU-UHFFFAOYSA-N
XLogP5.55
TPSA92.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol?
The IUPAC name of 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol (CID 69288934) is 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol?
The canonical SMILES for 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol is CC(C)C(=O)c1c(C(C)(C)O)nn2ccccc12.CC(C)c1nn2ccccc2c1C(O)C(C)C.
What is the InChIKey of 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol?
The InChIKey is UKZJWEQJAPKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C14H20N2O/c1-9(2)12(17)11-10-7-5-6-8-16(10)15-13(11)14(3,4)18;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-9,18H,1-4H3;5-10,14,17H,1-4H3.
What are the key properties of 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol?
1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol has a molecular weight of 478.64 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-ol is sourced from PubChem (CID 69288934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).