6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine

C14H18N2OS — CID 117138003

IUPAC6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESCOc1ccc2cnc(CC3CCCCS3)n2c1
InChIInChI=1S/C14H18N2OS/c1-17-12-6-5-11-9-15-14(16(11)10-12)8-13-4-2-3-7-18-13/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyMSWHMNXXPRHEDZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.17
Rot. Bonds3

About 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine

6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117138003) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117138003
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESCOc1ccc2cnc(CC3CCCCS3)n2c1
InChIInChI=1S/C14H18N2OS/c1-17-12-6-5-11-9-15-14(16(11)10-12)8-13-4-2-3-7-18-13/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyMSWHMNXXPRHEDZ-UHFFFAOYSA-N
XLogP3.17
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140239
3-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxyimidazo[1,5-a]pyridine
CID 117137995
6-methoxy-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117137929
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
CID 117144241
7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117144243
methyl 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142671
6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
CID 117138079
3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253829
5-chloro-3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117141673
[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
CID 117140785
8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145458
6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137940

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine (CID 117138003) is 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine is COc1ccc2cnc(CC3CCCCS3)n2c1.
What is the InChIKey of 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is MSWHMNXXPRHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-17-12-6-5-11-9-15-14(16(11)10-12)8-13-4-2-3-7-18-13/h5-6,9-10,13H,2-4,7-8H2,1H3.
What are the key properties of 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine?
6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 262.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117138003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).