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

C18H14ClFN4O — CID 171389191

IUPAC4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2ccccn2)c2c1NC(=O)CC2c1cc(F)cc(Cl)c1
InChIInChI=1S/C18H14ClFN4O/c1-24-18-16(17(23-24)14-4-2-3-5-21-14)13(9-15(25)22-18)10-6-11(19)8-12(20)7-10/h2-8,13H,9H2,1H3,(H,22,25)
InChIKeyXSDOIXRSXHHWPW-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.75
Rot. Bonds2

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

4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 171389191) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID171389191
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2ccccn2)c2c1NC(=O)CC2c1cc(F)cc(Cl)c1
InChIInChI=1S/C18H14ClFN4O/c1-24-18-16(17(23-24)14-4-2-3-5-21-14)13(9-15(25)22-18)10-6-11(19)8-12(20)7-10/h2-8,13H,9H2,1H3,(H,22,25)
InChIKeyXSDOIXRSXHHWPW-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171388370
4-(1,3-benzothiazol-7-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412653
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135988357
(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882356
4-(5-chloro-3-methyl-2-pyridinyl)-1-methyl-3-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136640010
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713742
3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171387890
(4S)-3-(4-chlorophenyl)-4-(3-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678953
(4R)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136821293
ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate
CID 137259126
4-[6-fluoro-1-(2-methyl-4-pyridinyl)indazol-5-yl]-1-methyl-3-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136640092

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 171389191) is 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(-c2ccccn2)c2c1NC(=O)CC2c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XSDOIXRSXHHWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-24-18-16(17(23-24)14-4-2-3-5-21-14)13(9-15(25)22-18)10-6-11(19)8-12(20)7-10/h2-8,13H,9H2,1H3,(H,22,25).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 356.79 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 171389191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).