[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone

C19H22N6OS — CID 53019518

IUPAC[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
SMILESCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(C)cc2)CC3)n1C
InChIInChI=1S/C19H22N6OS/c1-12-5-7-13(8-6-12)18(26)25-10-9-15-14(11-25)16(22-24(15)3)17-20-21-19(27-4)23(17)2/h5-8H,9-11H2,1-4H3
InChIKeyKDBZPOZRCRFUAA-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.44
Rot. Bonds3

About [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone

[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone (PubChem CID 53019518) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
PubChem CID53019518
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
SMILESCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(C)cc2)CC3)n1C
InChIInChI=1S/C19H22N6OS/c1-12-5-7-13(8-6-12)18(26)25-10-9-15-14(11-25)16(22-24(15)3)17-20-21-19(27-4)23(17)2/h5-8H,9-11H2,1-4H3
InChIKeyKDBZPOZRCRFUAA-UHFFFAOYSA-N
XLogP2.44
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone (CID 53019518) is [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone is CSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(C)cc2)CC3)n1C.
What is the InChIKey of [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The InChIKey is KDBZPOZRCRFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-12-5-7-13(8-6-12)18(26)25-10-9-15-14(11-25)16(22-24(15)3)17-20-21-19(27-4)23(17)2/h5-8H,9-11H2,1-4H3.
What are the key properties of [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone?
[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone has a molecular weight of 382.49 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 53019518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).