(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H22FN3O3 — CID 136833410

IUPAC(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-3-10-29-19-9-4-14(11-20(19)28-2)17-12-21(27)25-22-18(17)13-24-26(22)16-7-5-15(23)6-8-16/h4-9,11,13,17H,3,10,12H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyDPSJRXLYICAWFS-KRWDZBQOSA-N
MW395.43 g/mol
LogP4.28
Rot. Bonds6

About (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136833410) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136833410
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-3-10-29-19-9-4-14(11-20(19)28-2)17-12-21(27)25-22-18(17)13-24-26(22)16-7-5-15(23)6-8-16/h4-9,11,13,17H,3,10,12H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyDPSJRXLYICAWFS-KRWDZBQOSA-N
XLogP4.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833411
(4R)-4-(3-ethoxy-4-propoxyphenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833529
(4R)-1-(4-fluorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833470
(4S)-4-(3-methoxy-4-propoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758348
(4R)-4-(2-butoxyphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833368
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
1-(1,3-benzothiazol-2-yl)-4-(4-butoxy-3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135732907
(4R)-1-(4-chlorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833288
(4S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833530
(4S)-1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909489
(4S)-1-(4-fluorophenyl)-4-(3-methoxy-2-prop-2-enoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833379
(4S)-4-(4-ethoxy-3-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758346

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136833410) is (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1OC.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DPSJRXLYICAWFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-3-10-29-19-9-4-14(11-20(19)28-2)17-12-21(27)25-22-18(17)13-24-26(22)16-7-5-15(23)6-8-16/h4-9,11,13,17H,3,10,12H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 395.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136833410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).