4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

C23H27N7S — CID 31290811

IUPAC4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(CN3CCN(c4ncnc5c4cnn5C)CC3)cs2)cc1
InChIInChI=1S/C23H27N7S/c1-16(2)17-4-6-18(7-5-17)23-27-19(14-31-23)13-29-8-10-30(11-9-29)22-20-12-26-28(3)21(20)24-15-25-22/h4-7,12,14-16H,8-11,13H2,1-3H3
InChIKeySUNPZTQMORQTSS-UHFFFAOYSA-N
MW433.59 g/mol
LogP3.93
Rot. Bonds5

About 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 31290811) has the molecular formula C23H27N7S and a molecular weight of 433.59 g/mol. Its IUPAC name is 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID31290811
Molecular FormulaC23H27N7S
Molecular Weight433.59 g/mol
Exact Mass433.20
IUPAC Name4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(CN3CCN(c4ncnc5c4cnn5C)CC3)cs2)cc1
InChIInChI=1S/C23H27N7S/c1-16(2)17-4-6-18(7-5-17)23-27-19(14-31-23)13-29-8-10-30(11-9-29)22-20-12-26-28(3)21(20)24-15-25-22/h4-7,12,14-16H,8-11,13H2,1-3H3
InChIKeySUNPZTQMORQTSS-UHFFFAOYSA-N
XLogP3.93
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 18150328
4-(4-benzyl-1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 26021234
3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18156034
3-(4-fluorophenyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 16618495
1-methyl-4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 18150395
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18151880
4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 47053328
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine
CID 102563411
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 87002483

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 31290811) is 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2nc(CN3CCN(c4ncnc5c4cnn5C)CC3)cs2)cc1.
What is the InChIKey of 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is SUNPZTQMORQTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7S/c1-16(2)17-4-6-18(7-5-17)23-27-19(14-31-23)13-29-8-10-30(11-9-29)22-20-12-26-28(3)21(20)24-15-25-22/h4-7,12,14-16H,8-11,13H2,1-3H3.
What are the key properties of 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 433.59 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 31290811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).