4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one

C16H24N4O — CID 167672894

IUPAC4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one
SMILESCC(C)c1cc(C(=O)CCCN)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H24N4O/c1-10(2)14-8-12(15(21)6-5-7-17)13-9-18-20(11(3)4)16(13)19-14/h8-11H,5-7,17H2,1-4H3
InChIKeyUJSFEUPYAJEDDS-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.06
Rot. Bonds6

About 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one

4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one (PubChem CID 167672894) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one
PubChem CID167672894
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one
SMILESCC(C)c1cc(C(=O)CCCN)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H24N4O/c1-10(2)14-8-12(15(21)6-5-7-17)13-9-18-20(11(3)4)16(13)19-14/h8-11H,5-7,17H2,1-4H3
InChIKeyUJSFEUPYAJEDDS-UHFFFAOYSA-N
XLogP3.06
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
cyanomethyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907541
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
N-butyl-N-ethyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134015253
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 24539678
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32982457
1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021617

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one?
The IUPAC name of 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one (CID 167672894) is 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one is CC(C)c1cc(C(=O)CCCN)c2cnn(C(C)C)c2n1.
What is the InChIKey of 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one?
The InChIKey is UJSFEUPYAJEDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(2)14-8-12(15(21)6-5-7-17)13-9-18-20(11(3)4)16(13)19-14/h8-11H,5-7,17H2,1-4H3.
What are the key properties of 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one?
4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one has a molecular weight of 288.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one is sourced from PubChem (CID 167672894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).