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

C18H23N3O — CID 136826055

IUPAC(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1
InChIInChI=1S/C18H23N3O/c1-5-12-6-8-13(9-7-12)14-10-16(22)20-17-15(14)11-19-21(17)18(2,3)4/h6-9,11,14H,5,10H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyOOVLNKAPVOROEK-AWEZNQCLSA-N
MW297.40 g/mol
LogP3.67
Rot. Bonds2

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

(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136826055) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136826055
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1
InChIInChI=1S/C18H23N3O/c1-5-12-6-8-13(9-7-12)14-10-16(22)20-17-15(14)11-19-21(17)18(2,3)4/h6-9,11,14H,5,10H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyOOVLNKAPVOROEK-AWEZNQCLSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136826055) is (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1.
What is the InChIKey of (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OOVLNKAPVOROEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-5-12-6-8-13(9-7-12)14-10-16(22)20-17-15(14)11-19-21(17)18(2,3)4/h6-9,11,14H,5,10H2,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 297.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136826055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).