1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

C20H20FN5O — CID 50745079

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C)nc(-n2nc(C)c3c2N(C)C(=O)CC3c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN5O/c1-11-9-12(2)23-20(22-11)26-19-18(13(3)24-26)16(10-17(27)25(19)4)14-5-7-15(21)8-6-14/h5-9,16H,10H2,1-4H3
InChIKeyLVULIIHDYCUWGE-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.23
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 50745079) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
PubChem CID50745079
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C)nc(-n2nc(C)c3c2N(C)C(=O)CC3c2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN5O/c1-11-9-12(2)23-20(22-11)26-19-18(13(3)24-26)16(10-17(27)25(19)4)14-5-7-15(21)8-6-14/h5-9,16H,10H2,1-4H3
InChIKeyLVULIIHDYCUWGE-UHFFFAOYSA-N
XLogP3.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(4,6-dimethylpyrimidin-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92720883
(4R)-4-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-7-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92702186
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 23610392
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135893108
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92717629
(4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92702191
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxyphenyl)-3-methyl-7-[(2-methylphenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92717624
4-(4-fluorophenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594774
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
(4S)-4-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871388
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(4-prop-2-ynoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135880621

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (CID 50745079) is 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is Cc1cc(C)nc(-n2nc(C)c3c2N(C)C(=O)CC3c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LVULIIHDYCUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-11-9-12(2)23-20(22-11)26-19-18(13(3)24-26)16(10-17(27)25(19)4)14-5-7-15(21)8-6-14/h5-9,16H,10H2,1-4H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 365.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 50745079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).