1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine

C20H17N3S — CID 169488969

IUPAC1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine
SMILESCSc1cc(-c2ccccc2)c2c(-c3ccccc3)nn(C)c2n1
InChIInChI=1S/C20H17N3S/c1-23-20-18(19(22-23)15-11-7-4-8-12-15)16(13-17(21-20)24-2)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyGBUWIGDRXIQTAV-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.02
Rot. Bonds3

About 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine

1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine (PubChem CID 169488969) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine
PubChem CID169488969
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine
SMILESCSc1cc(-c2ccccc2)c2c(-c3ccccc3)nn(C)c2n1
InChIInChI=1S/C20H17N3S/c1-23-20-18(19(22-23)15-11-7-4-8-12-15)16(13-17(21-20)24-2)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyGBUWIGDRXIQTAV-UHFFFAOYSA-N
XLogP5.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 134120564
8,16-bis(4-bromophenyl)-5,13-dimethyl-3,11-diphenyl-4,5,7,12,13,15-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),3,7,10(14),11,15-heptaene
CID 71697009
4-chloro-1-methyl-5-methylsulfanyl-3-phenylpyrazole
CID 153159520
6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 169489009
(1,4-dimethyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl) N,N-dimethylcarbamate
CID 4648895
1-methyl-5-methylsulfanyl-4-phenylimidazole
CID 130256791
5-fluoro-1-methyl-3,4-diphenylpyrazole
CID 174249239
4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
CID 66576806
4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 66576808
11,14-dimethyl-16-phenyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one
CID 139220066
1-methyl-4-phenyl-6-(2-phenylcyclopropyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141201294
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine (CID 169488969) is 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine is CSc1cc(-c2ccccc2)c2c(-c3ccccc3)nn(C)c2n1.
What is the InChIKey of 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine?
The InChIKey is GBUWIGDRXIQTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-23-20-18(19(22-23)15-11-7-4-8-12-15)16(13-17(21-20)24-2)14-9-5-3-6-10-14/h3-13H,1-2H3.
What are the key properties of 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine?
1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine has a molecular weight of 331.44 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 169488969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).