1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine

C18H16N4S — CID 155399968

IUPAC1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4cc(C)cs4)cc32)c1
InChIInChI=1S/C18H16N4S/c1-12-3-14(7-19-6-12)10-22-17-5-15(8-20-16(17)9-21-22)18-4-13(2)11-23-18/h3-9,11H,10H2,1-2H3
InChIKeyAOAOHAOGMGXSPV-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.22
Rot. Bonds3

About 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine

1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine (PubChem CID 155399968) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine
PubChem CID155399968
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4cc(C)cs4)cc32)c1
InChIInChI=1S/C18H16N4S/c1-12-3-14(7-19-6-12)10-22-17-5-15(8-20-16(17)9-21-22)18-4-13(2)11-23-18/h3-9,11H,10H2,1-2H3
InChIKeyAOAOHAOGMGXSPV-UHFFFAOYSA-N
XLogP4.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine (CID 155399968) is 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine is Cc1cncc(Cn2ncc3ncc(-c4cc(C)cs4)cc32)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is AOAOHAOGMGXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-12-3-14(7-19-6-12)10-22-17-5-15(8-20-16(17)9-21-22)18-4-13(2)11-23-18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine?
1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 320.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methyl]-6-(4-methylthiophen-2-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).