2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide

C23H17ClN6OS2 — CID 71450638

IUPAC2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESCc1csc(NC(=O)C(Sc2ncnc3c2cnn3-c2ccccc2Cl)c2ccccc2)n1
InChIInChI=1S/C23H17ClN6OS2/c1-14-12-32-23(28-14)29-21(31)19(15-7-3-2-4-8-15)33-22-16-11-27-30(20(16)25-13-26-22)18-10-6-5-9-17(18)24/h2-13,19H,1H3,(H,28,29,31)
InChIKeyMZWFEILTEMHKEQ-UHFFFAOYSA-N
MW493.02 g/mol
LogP5.71
Rot. Bonds6

About 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide (PubChem CID 71450638) has the molecular formula C23H17ClN6OS2 and a molecular weight of 493.02 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
PubChem CID71450638
Molecular FormulaC23H17ClN6OS2
Molecular Weight493.02 g/mol
Exact Mass492.06
IUPAC Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESCc1csc(NC(=O)C(Sc2ncnc3c2cnn3-c2ccccc2Cl)c2ccccc2)n1
InChIInChI=1S/C23H17ClN6OS2/c1-14-12-32-23(28-14)29-21(31)19(15-7-3-2-4-8-15)33-22-16-11-27-30(20(16)25-13-26-22)18-10-6-5-9-17(18)24/h2-13,19H,1H3,(H,28,29,31)
InChIKeyMZWFEILTEMHKEQ-UHFFFAOYSA-N
XLogP5.71
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.02
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide (CID 71450638) is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide is Cc1csc(NC(=O)C(Sc2ncnc3c2cnn3-c2ccccc2Cl)c2ccccc2)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The InChIKey is MZWFEILTEMHKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6OS2/c1-14-12-32-23(28-14)29-21(31)19(15-7-3-2-4-8-15)33-22-16-11-27-30(20(16)25-13-26-22)18-10-6-5-9-17(18)24/h2-13,19H,1H3,(H,28,29,31).
What are the key properties of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide has a molecular weight of 493.02 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 71450638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).