(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H17N3O — CID 136833112

IUPAC(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@@H](c2ccc3ccccc3c2)c2cnn(-c3ccccc3)c2N1
InChIInChI=1S/C22H17N3O/c26-21-13-19(17-11-10-15-6-4-5-7-16(15)12-17)20-14-23-25(22(20)24-21)18-8-2-1-3-9-18/h1-12,14,19H,13H2,(H,24,26)/t19-/m0/s1
InChIKeySKIIQZJROJSASR-IBGZPJMESA-N
MW339.40 g/mol
LogP4.50
Rot. Bonds2

About (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136833112) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136833112
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@@H](c2ccc3ccccc3c2)c2cnn(-c3ccccc3)c2N1
InChIInChI=1S/C22H17N3O/c26-21-13-19(17-11-10-15-6-4-5-7-16(15)12-17)20-14-23-25(22(20)24-21)18-8-2-1-3-9-18/h1-12,14,19H,13H2,(H,24,26)/t19-/m0/s1
InChIKeySKIIQZJROJSASR-IBGZPJMESA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-phenyl-4-(2-phenylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820531
(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833222
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833167
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
4-(6-methoxy-2-pyridinyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171914935
(4R)-4-(3-bromophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833557
(4R)-1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833239
(4S)-4-(5-bromo-2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833121
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737610
(4R)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820642

Frequently Asked Questions

What is the IUPAC name of (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136833112) is (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1C[C@@H](c2ccc3ccccc3c2)c2cnn(-c3ccccc3)c2N1.
What is the InChIKey of (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SKIIQZJROJSASR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H17N3O/c26-21-13-19(17-11-10-15-6-4-5-7-16(15)12-17)20-14-23-25(22(20)24-21)18-8-2-1-3-9-18/h1-12,14,19H,13H2,(H,24,26)/t19-/m0/s1.
What are the key properties of (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 339.40 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136833112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).