6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide

C19H17N5O2S — CID 53100637

IUPAC6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3cccs3)c3ncn(C)c(=O)c32)cc1
InChIInChI=1S/C19H17N5O2S/c1-12-5-7-13(8-6-12)24-17-15(21-11-23(2)19(17)26)16(22-24)18(25)20-10-14-4-3-9-27-14/h3-9,11H,10H2,1-2H3,(H,20,25)
InChIKeyLJYGKBZXZPEHSC-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.42
Rot. Bonds4

About 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide

6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 53100637) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID53100637
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3cccs3)c3ncn(C)c(=O)c32)cc1
InChIInChI=1S/C19H17N5O2S/c1-12-5-7-13(8-6-12)24-17-15(21-11-23(2)19(17)26)16(22-24)18(25)20-10-14-4-3-9-27-14/h3-9,11H,10H2,1-2H3,(H,20,25)
InChIKeyLJYGKBZXZPEHSC-UHFFFAOYSA-N
XLogP2.42
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-(4-methylphenyl)-3,5-dioxo-N-(thiophen-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 22578664
N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100647
N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100569
3-methyl-1-phenyl-5-pyrrol-1-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 20892701
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2615751
6-methyl-3-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazolo[4,5-d]pyrimidin-7-one
CID 53100532
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53076159
5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 6498277
1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100457
2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20919610

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 53100637) is 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCc3cccs3)c3ncn(C)c(=O)c32)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is LJYGKBZXZPEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-5-7-13(8-6-12)24-17-15(21-11-23(2)19(17)26)16(22-24)18(25)20-10-14-4-3-9-27-14/h3-9,11H,10H2,1-2H3,(H,20,25).
What are the key properties of 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide?
6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53100637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).