(4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H25N3O — CID 136826108

IUPAC(4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)C[C@@H]2C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-15-13(10-17-19)12(9-14(20)18-15)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyBKTGIIBSVFQSPP-GFCCVEGCSA-N
MW275.40 g/mol
LogP3.64
Rot. Bonds1

About (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136826108) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136826108
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)C[C@@H]2C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-15-13(10-17-19)12(9-14(20)18-15)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyBKTGIIBSVFQSPP-GFCCVEGCSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

1-tert-butyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632415
1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632575
1-tert-butyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632728
(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826055
(4R)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826080
(4S)-1-tert-butyl-4-(5-chloro-2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826066
(4R)-4-cyclohexyl-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826185
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 115926987
(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390433
ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95128759

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136826108) is (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2C1CCCCC1.
What is the InChIKey of (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BKTGIIBSVFQSPP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)19-15-13(10-17-19)12(9-14(20)18-15)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 275.40 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-cyclohexyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136826108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).