2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine

C18H16N4S — CID 44547221

IUPAC2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1SCc1cc2ccccn2n1
InChIInChI=1S/C18H16N4S/c1-21-12-17(14-7-3-2-4-8-14)19-18(21)23-13-15-11-16-9-5-6-10-22(16)20-15/h2-12H,13H2,1H3
InChIKeyFZZGBGQEEOTGEB-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.03
Rot. Bonds4

About 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine

2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine (PubChem CID 44547221) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine
PubChem CID44547221
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1SCc1cc2ccccn2n1
InChIInChI=1S/C18H16N4S/c1-21-12-17(14-7-3-2-4-8-14)19-18(21)23-13-15-11-16-9-5-6-10-22(16)20-15/h2-12H,13H2,1H3
InChIKeyFZZGBGQEEOTGEB-UHFFFAOYSA-N
XLogP4.03
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Adipiplon
CID 11198924
8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
CID 2988303
1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032839
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine (CID 44547221) is 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine is Cn1cc(-c2ccccc2)nc1SCc1cc2ccccn2n1.
What is the InChIKey of 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine?
The InChIKey is FZZGBGQEEOTGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-21-12-17(14-7-3-2-4-8-14)19-18(21)23-13-15-11-16-9-5-6-10-22(16)20-15/h2-12H,13H2,1H3.
What are the key properties of 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine?
2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine has a molecular weight of 320.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 44547221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).