2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole

C20H16N6S — CID 28732543

IUPAC2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccc(-c3cccc(-c4cnn5cccnc45)c3)n2)cs1
InChIInChI=1S/C20H16N6S/c1-14-23-17(13-27-14)12-25-9-6-19(24-25)16-5-2-4-15(10-16)18-11-22-26-8-3-7-21-20(18)26/h2-11,13H,12H2,1H3
InChIKeyNPMISAGOKCRWSB-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.07
Rot. Bonds4

About 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole (PubChem CID 28732543) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole
PubChem CID28732543
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC Name2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccc(-c3cccc(-c4cnn5cccnc45)c3)n2)cs1
InChIInChI=1S/C20H16N6S/c1-14-23-17(13-27-14)12-25-9-6-19(24-25)16-5-2-4-15(10-16)18-11-22-26-8-3-7-21-20(18)26/h2-11,13H,12H2,1H3
InChIKeyNPMISAGOKCRWSB-UHFFFAOYSA-N
XLogP4.07
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
Adenosine receptor antagonist 3
CID 146268692
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4,6-dimethyl-1-(3-methylbenzyl)-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 1477617
7-Ethylsulfanyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 1988312
6-[(2,5-Dimethylphenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190549
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
4-Benzylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 864620
4-(4-Methyl-benzylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 3844442
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole (CID 28732543) is 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole is Cc1nc(Cn2ccc(-c3cccc(-c4cnn5cccnc45)c3)n2)cs1.
What is the InChIKey of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is NPMISAGOKCRWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-14-23-17(13-27-14)12-25-9-6-19(24-25)16-5-2-4-15(10-16)18-11-22-26-8-3-7-21-20(18)26/h2-11,13H,12H2,1H3.
What are the key properties of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 372.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 28732543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).