N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C15H15ClN4O2S — CID 39932657

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(Cl)s2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C15H15ClN4O2S/c1-8-6-10(12-13(17-8)20(3)18-14(12)21)15(22)19(2)7-9-4-5-11(16)23-9/h4-6H,7H2,1-3H3,(H,18,21)
InChIKeyVLTZHGLXNPIMCS-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.56
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 39932657) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID39932657
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(Cl)s2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C15H15ClN4O2S/c1-8-6-10(12-13(17-8)20(3)18-14(12)21)15(22)19(2)7-9-4-5-11(16)23-9/h4-6H,7H2,1-3H3,(H,18,21)
InChIKeyVLTZHGLXNPIMCS-UHFFFAOYSA-N
XLogP2.56
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 39932657) is N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(Cl)s2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VLTZHGLXNPIMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-8-6-10(12-13(17-8)20(3)18-14(12)21)15(22)19(2)7-9-4-5-11(16)23-9/h4-6H,7H2,1-3H3,(H,18,21).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 350.83 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N,1,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39932657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).