N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide

C15H13N7O2S — CID 75119422

IUPACN-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2ccsc2)n(C2=NC(=O)C3C=NN(C)C3=N2)n1
InChIInChI=1S/C15H13N7O2S/c1-8-5-11(17-13(23)9-3-4-25-7-9)22(20-8)15-18-12-10(14(24)19-15)6-16-21(12)2/h3-7,10H,1-2H3,(H,17,23)
InChIKeyQSXCDVZLSIBYLK-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.20
Rot. Bonds2

About N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide

N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide (PubChem CID 75119422) has the molecular formula C15H13N7O2S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide
PubChem CID75119422
Molecular FormulaC15H13N7O2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC NameN-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2ccsc2)n(C2=NC(=O)C3C=NN(C)C3=N2)n1
InChIInChI=1S/C15H13N7O2S/c1-8-5-11(17-13(23)9-3-4-25-7-9)22(20-8)15-18-12-10(14(24)19-15)6-16-21(12)2/h3-7,10H,1-2H3,(H,17,23)
InChIKeyQSXCDVZLSIBYLK-UHFFFAOYSA-N
XLogP1.20
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide (CID 75119422) is N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide is Cc1cc(NC(=O)c2ccsc2)n(C2=NC(=O)C3C=NN(C)C3=N2)n1.
What is the InChIKey of N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide?
The InChIKey is QSXCDVZLSIBYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2S/c1-8-5-11(17-13(23)9-3-4-25-7-9)22(20-8)15-18-12-10(14(24)19-15)6-16-21(12)2/h3-7,10H,1-2H3,(H,17,23).
What are the key properties of N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide?
N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 75119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).