3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one

C24H20N6OS — CID 11259240

IUPAC3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(-c2ccccc2)c2nc(NCc3cccnc3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H20N6OS/c1-32-22-20-21(30(28-22)19-12-6-3-7-13-19)27-24(26-16-17-9-8-14-25-15-17)29(23(20)31)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,26,27)
InChIKeyPNTRMXCKURATEY-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.30
Rot. Bonds6

About 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one

3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 11259240) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID11259240
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC Name3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(-c2ccccc2)c2nc(NCc3cccnc3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H20N6OS/c1-32-22-20-21(30(28-22)19-12-6-3-7-13-19)27-24(26-16-17-9-8-14-25-15-17)29(23(20)31)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,26,27)
InChIKeyPNTRMXCKURATEY-UHFFFAOYSA-N
XLogP4.30
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 15430070
8-methyl-3-methylsulfanyl-5,11-diphenyl-12-(propan-2-ylamino)-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-10-one
CID 25172764
5-amino-6-(4-fluoroanilino)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 25067900
1,3-diphenyl-5-(pyridin-3-ylmethylamino)-7-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4-dione
CID 2786080
5-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 24827369
1,3-dimethyl-2,4,7-trioxo-8-phenyl-5-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidine-6-carbaldehyde
CID 2786441
5-methyl-2-[(2-methylphenyl)methylamino]-7-methylsulfanyl-4-oxo-3-phenylpyrido[4,3-d]pyrimidine-8-carbonitrile
CID 141258138
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755
3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 100830411
2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
3-(4-phenylpiperazin-1-yl)-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 53369125

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one (CID 11259240) is 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one is CSc1nn(-c2ccccc2)c2nc(NCc3cccnc3)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PNTRMXCKURATEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c1-32-22-20-21(30(28-22)19-12-6-3-7-13-19)27-24(26-16-17-9-8-14-25-15-17)29(23(20)31)18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,26,27).
What are the key properties of 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one?
3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 440.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 11259240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).