1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C22H33N5O2 — CID 134021617

IUPAC1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)c1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H33N5O2/c1-14(2)18-12-16(17-13-23-27(15(3)4)19(17)24-18)20(28)25-8-10-26(11-9-25)21(29)22(5,6)7/h12-15H,8-11H2,1-7H3
InChIKeyBOGXRPHBXFDDBW-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.47
Rot. Bonds3

About 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134021617) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134021617
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)c1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H33N5O2/c1-14(2)18-12-16(17-13-23-27(15(3)4)19(17)24-18)20(28)25-8-10-26(11-9-25)21(29)22(5,6)7/h12-15H,8-11H2,1-7H3
InChIKeyBOGXRPHBXFDDBW-UHFFFAOYSA-N
XLogP3.47
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 24539678
[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32771223
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24554726
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30436259
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31595087
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 9489912
2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429159
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 52529673
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
(2S)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682044
(2R)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682042
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 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) is 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)c1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BOGXRPHBXFDDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-14(2)18-12-16(17-13-23-27(15(3)4)19(17)24-18)20(28)25-8-10-26(11-9-25)21(29)22(5,6)7/h12-15H,8-11H2,1-7H3.
What are the key properties of 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 399.54 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134021617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).