5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

C12H13N5S — CID 82586281

IUPAC5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCc1csc(-n2nc(C#N)c3c2CCN(C)C3)n1
InChIInChI=1S/C12H13N5S/c1-8-7-18-12(14-8)17-11-3-4-16(2)6-9(11)10(5-13)15-17/h7H,3-4,6H2,1-2H3
InChIKeyMXTIQAJLTPLWRL-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.50
Rot. Bonds1

About 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 82586281) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID82586281
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCc1csc(-n2nc(C#N)c3c2CCN(C)C3)n1
InChIInChI=1S/C12H13N5S/c1-8-7-18-12(14-8)17-11-3-4-16(2)6-9(11)10(5-13)15-17/h7H,3-4,6H2,1-2H3
InChIKeyMXTIQAJLTPLWRL-UHFFFAOYSA-N
XLogP1.50
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (CID 82586281) is 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is Cc1csc(-n2nc(C#N)c3c2CCN(C)C3)n1.
What is the InChIKey of 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is MXTIQAJLTPLWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-7-18-12(14-8)17-11-3-4-16(2)6-9(11)10(5-13)15-17/h7H,3-4,6H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82586281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).