1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one

C23H34N2O2 — CID 168979649

IUPAC1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one
SMILESCC(C)(C)CC(=O)CCCc1nn2ccc(C(C)(C)O)cc2c1C1CCC1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)15-18(26)10-7-11-19-21(16-8-6-9-16)20-14-17(23(4,5)27)12-13-25(20)24-19/h12-14,16,27H,6-11,15H2,1-5H3
InChIKeyKPIOYSLXUUQJLF-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.16
Rot. Bonds7

About 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one

1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one (PubChem CID 168979649) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one.

Molecular Properties

Compound Name1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one
PubChem CID168979649
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one
SMILESCC(C)(C)CC(=O)CCCc1nn2ccc(C(C)(C)O)cc2c1C1CCC1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)15-18(26)10-7-11-19-21(16-8-6-9-16)20-14-17(23(4,5)27)12-13-25(20)24-19/h12-14,16,27H,6-11,15H2,1-5H3
InChIKeyKPIOYSLXUUQJLF-UHFFFAOYSA-N
XLogP5.16
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one?
The IUPAC name of 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one (CID 168979649) is 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one.
What is the SMILES notation for 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one?
The canonical SMILES for 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one is CC(C)(C)CC(=O)CCCc1nn2ccc(C(C)(C)O)cc2c1C1CCC1.
What is the InChIKey of 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one?
The InChIKey is KPIOYSLXUUQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-22(2,3)15-18(26)10-7-11-19-21(16-8-6-9-16)20-14-17(23(4,5)27)12-13-25(20)24-19/h12-14,16,27H,6-11,15H2,1-5H3.
What are the key properties of 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one?
1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one has a molecular weight of 370.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-2-yl]-6,6-dimethylheptan-4-one is sourced from PubChem (CID 168979649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).