N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide

C18H15N5O2S — CID 16804279

IUPACN-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccs4)cnc32)cc1C
InChIInChI=1S/C18H15N5O2S/c1-11-5-6-13(8-12(11)2)23-16-14(9-20-23)18(25)22(10-19-16)21-17(24)15-4-3-7-26-15/h3-10H,1-2H3,(H,21,24)
InChIKeyYZJJNLVQMIEVAK-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.64
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide

N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 16804279) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID16804279
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccs4)cnc32)cc1C
InChIInChI=1S/C18H15N5O2S/c1-11-5-6-13(8-12(11)2)23-16-14(9-20-23)18(25)22(10-19-16)21-17(24)15-4-3-7-26-15/h3-10H,1-2H3,(H,21,24)
InChIKeyYZJJNLVQMIEVAK-UHFFFAOYSA-N
XLogP2.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-4-methoxybenzamide
CID 16804233
(E)-N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]but-2-enamide
CID 16804222
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide
CID 18586745
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
CID 16811185
2-bromo-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804165
2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811162
2,5-dichloro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804171
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 42525032
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090
2-chloro-6-fluoro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804172

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide (CID 16804279) is N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide is Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccs4)cnc32)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is YZJJNLVQMIEVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-5-6-13(8-12(11)2)23-16-14(9-20-23)18(25)22(10-19-16)21-17(24)15-4-3-7-26-15/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 16804279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).