1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C17H16N8OS — CID 78860229

IUPAC1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1
InChIInChI=1S/C17H16N8OS/c1-10-14-7-11(9-18-15(14)24(2)21-10)16(26)19-12-5-4-6-13(8-12)25-17(27-3)20-22-23-25/h4-9H,1-3H3,(H,19,26)
InChIKeyGZWQDUIMOKSXQI-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.23
Rot. Bonds4

About 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78860229) has the molecular formula C17H16N8OS and a molecular weight of 380.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78860229
Molecular FormulaC17H16N8OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1
InChIInChI=1S/C17H16N8OS/c1-10-14-7-11(9-18-15(14)24(2)21-10)16(26)19-12-5-4-6-13(8-12)25-17(27-3)20-22-23-25/h4-9H,1-3H3,(H,19,26)
InChIKeyGZWQDUIMOKSXQI-UHFFFAOYSA-N
XLogP2.23
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55609025
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55870096
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
4-bromo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide
CID 39127432

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 78860229) is 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is CSc1nnnn1-c1cccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1.
What is the InChIKey of 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GZWQDUIMOKSXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8OS/c1-10-14-7-11(9-18-15(14)24(2)21-10)16(26)19-12-5-4-6-13(8-12)25-17(27-3)20-22-23-25/h4-9H,1-3H3,(H,19,26).
What are the key properties of 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78860229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).