(4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C19H25N7OS — CID 126784488

IUPAC(4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3scnc3C(C)(C)C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H25N7OS/c1-12-22-16-13(10-21-24(16)5)17(23-12)25-6-8-26(9-7-25)18(27)14-15(19(2,3)4)20-11-28-14/h10-11H,6-9H2,1-5H3
InChIKeyRLYLEJRYSNULIZ-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.39
Rot. Bonds2

About (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 126784488) has the molecular formula C19H25N7OS and a molecular weight of 399.52 g/mol. Its IUPAC name is (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID126784488
Molecular FormulaC19H25N7OS
Molecular Weight399.52 g/mol
Exact Mass399.18
IUPAC Name(4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3scnc3C(C)(C)C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H25N7OS/c1-12-22-16-13(10-21-24(16)5)17(23-12)25-6-8-26(9-7-25)18(27)14-15(19(2,3)4)20-11-28-14/h10-11H,6-9H2,1-5H3
InChIKeyRLYLEJRYSNULIZ-UHFFFAOYSA-N
XLogP2.39
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 86951146
[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 86949776
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704533
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-ethoxybutan-1-one
CID 56805694
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982781
3-amino-1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953895
tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
CID 156555085
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86951128
1-(4-tert-butyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119353708

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 126784488) is (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3scnc3C(C)(C)C)CC2)c2cnn(C)c2n1.
What is the InChIKey of (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is RLYLEJRYSNULIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS/c1-12-22-16-13(10-21-24(16)5)17(23-12)25-6-8-26(9-7-25)18(27)14-15(19(2,3)4)20-11-28-14/h10-11H,6-9H2,1-5H3.
What are the key properties of (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 399.52 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-thiazol-5-yl)-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126784488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).