3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C18H19N7OS — CID 24905154

IUPAC3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c(N)ncnc21
InChIInChI=1S/C18H19N7OS/c1-10(2)25-16-13(15(19)21-9-22-16)14(24-25)11-4-3-5-12(8-11)17(26)23-18-20-6-7-27-18/h3-5,8-10H,6-7H2,1-2H3,(H2,19,21,22)(H,20,23,26)
InChIKeyWGYPOAXANMFHMT-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.49
Rot. Bonds3

About 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 24905154) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID24905154
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c(N)ncnc21
InChIInChI=1S/C18H19N7OS/c1-10(2)25-16-13(15(19)21-9-22-16)14(24-25)11-4-3-5-12(8-11)17(26)23-18-20-6-7-27-18/h3-5,8-10H,6-7H2,1-2H3,(H2,19,21,22)(H,20,23,26)
InChIKeyWGYPOAXANMFHMT-UHFFFAOYSA-N
XLogP2.49
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 24905154) is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is CC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is WGYPOAXANMFHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-10(2)25-16-13(15(19)21-9-22-16)14(24-25)11-4-3-5-12(8-11)17(26)23-18-20-6-7-27-18/h3-5,8-10H,6-7H2,1-2H3,(H2,19,21,22)(H,20,23,26).
What are the key properties of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 381.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 24905154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).