2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine

C19H16N4S — CID 166112288

IUPAC2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine
SMILESCc1cccc(-n2nc3c(c2-c2cc4ncccc4s2)CCC3)n1
InChIInChI=1S/C19H16N4S/c1-12-5-2-9-18(21-12)23-19(13-6-3-7-14(13)22-23)17-11-15-16(24-17)8-4-10-20-15/h2,4-5,8-11H,3,6-7H2,1H3
InChIKeyGCHJVWGFKUXFIT-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.34
Rot. Bonds2

About 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine

2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine (PubChem CID 166112288) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine
PubChem CID166112288
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine
SMILESCc1cccc(-n2nc3c(c2-c2cc4ncccc4s2)CCC3)n1
InChIInChI=1S/C19H16N4S/c1-12-5-2-9-18(21-12)23-19(13-6-3-7-14(13)22-23)17-11-15-16(24-17)8-4-10-20-15/h2,4-5,8-11H,3,6-7H2,1H3
InChIKeyGCHJVWGFKUXFIT-UHFFFAOYSA-N
XLogP4.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-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 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?
The IUPAC name of 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine (CID 166112288) is 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine is Cc1cccc(-n2nc3c(c2-c2cc4ncccc4s2)CCC3)n1.
What is the InChIKey of 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?
The InChIKey is GCHJVWGFKUXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-12-5-2-9-18(21-12)23-19(13-6-3-7-14(13)22-23)17-11-15-16(24-17)8-4-10-20-15/h2,4-5,8-11H,3,6-7H2,1H3.
What are the key properties of 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?
2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine has a molecular weight of 332.43 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 166112288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).