6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine

C20H21N7S — CID 19590555

IUPAC6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc(C3CC3)cc(-c3nnc(SCc4ccccn4)n3C)c12
InChIInChI=1S/C20H21N7S/c1-12-17-15(10-16(13-7-8-13)22-19(17)27(3)25-12)18-23-24-20(26(18)2)28-11-14-6-4-5-9-21-14/h4-6,9-10,13H,7-8,11H2,1-3H3
InChIKeyQDWSYVXZJNHYIU-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.64
Rot. Bonds5

About 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine

6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (PubChem CID 19590555) has the molecular formula C20H21N7S and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
PubChem CID19590555
Molecular FormulaC20H21N7S
Molecular Weight391.50 g/mol
Exact Mass391.16
IUPAC Name6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc(C3CC3)cc(-c3nnc(SCc4ccccn4)n3C)c12
InChIInChI=1S/C20H21N7S/c1-12-17-15(10-16(13-7-8-13)22-19(17)27(3)25-12)18-23-24-20(26(18)2)28-11-14-6-4-5-9-21-14/h4-6,9-10,13H,7-8,11H2,1-3H3
InChIKeyQDWSYVXZJNHYIU-UHFFFAOYSA-N
XLogP3.64
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (CID 19590555) is 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is Cc1nn(C)c2nc(C3CC3)cc(-c3nnc(SCc4ccccn4)n3C)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is QDWSYVXZJNHYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7S/c1-12-17-15(10-16(13-7-8-13)22-19(17)27(3)25-12)18-23-24-20(26(18)2)28-11-14-6-4-5-9-21-14/h4-6,9-10,13H,7-8,11H2,1-3H3.
What are the key properties of 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 391.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19590555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).