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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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).