(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H15ClFN3O — CID 136833353

IUPAC(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccccc1F
InChIInChI=1S/C19H15ClFN3O/c1-11-15(20)6-4-8-17(11)24-19-14(10-22-24)13(9-18(25)23-19)12-5-2-3-7-16(12)21/h2-8,10,13H,9H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyXHOKJSFRCWHJTI-CYBMUJFWSA-N
MW355.80 g/mol
LogP4.45
Rot. Bonds2

About (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136833353) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136833353
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccccc1F
InChIInChI=1S/C19H15ClFN3O/c1-11-15(20)6-4-8-17(11)24-19-14(10-22-24)13(9-18(25)23-19)12-5-2-3-7-16(12)21/h2-8,10,13H,9H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyXHOKJSFRCWHJTI-CYBMUJFWSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833303
(4R)-1-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759700
(4S)-4-(2-butoxyphenyl)-1-(3-chloro-2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759678
(4S)-1-(3-chloro-2-methylphenyl)-4-(3,4-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833320
(4S)-1-(3-chloro-2-methylphenyl)-4-(4-ethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759701
(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833444
(4R)-4-(2-chloro-6-fluorophenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800439
1-(2-chlorophenyl)-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636885
(4S)-1-tert-butyl-4-(5-chloro-2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826066
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598
(4R)-1-(4-chlorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833288

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136833353) is (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccccc1F.
What is the InChIKey of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XHOKJSFRCWHJTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-11-15(20)6-4-8-17(11)24-19-14(10-22-24)13(9-18(25)23-19)12-5-2-3-7-16(12)21/h2-8,10,13H,9H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 355.80 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136833353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).