2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine

C17H14N4S — CID 24771820

IUPAC2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
SMILESCc1cccc(-n2ncc(C)c2-c2cc3cnccc3s2)n1
InChIInChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3
InChIKeyVRQZQTWWFHBPNK-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.16
Rot. Bonds2

About 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine

2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine (PubChem CID 24771820) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
PubChem CID24771820
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
SMILESCc1cccc(-n2ncc(C)c2-c2cc3cnccc3s2)n1
InChIInChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3
InChIKeyVRQZQTWWFHBPNK-UHFFFAOYSA-N
XLogP4.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The IUPAC name of 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine (CID 24771820) is 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine is Cc1cccc(-n2ncc(C)c2-c2cc3cnccc3s2)n1.
What is the InChIKey of 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The InChIKey is VRQZQTWWFHBPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3.
What are the key properties of 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine has a molecular weight of 306.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 24771820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).