2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine

C20H19N5S — CID 4805210

IUPAC2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc12
InChIInChI=1S/C20H19N5S/c1-14-6-5-11-24-12-16(21-18(14)24)13-26-20-22-19(15-9-10-15)25(23-20)17-7-3-2-4-8-17/h2-8,11-12,15H,9-10,13H2,1H3
InChIKeyRPKWXZYROMFLFF-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.39
Rot. Bonds5

About 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine

2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 4805210) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID4805210
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc12
InChIInChI=1S/C20H19N5S/c1-14-6-5-11-24-12-16(21-18(14)24)13-26-20-22-19(15-9-10-15)25(23-20)17-7-3-2-4-8-17/h2-8,11-12,15H,9-10,13H2,1H3
InChIKeyRPKWXZYROMFLFF-UHFFFAOYSA-N
XLogP4.39
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine (CID 4805210) is 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine is Cc1cccn2cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc12.
What is the InChIKey of 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is RPKWXZYROMFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-14-6-5-11-24-12-16(21-18(14)24)13-26-20-22-19(15-9-10-15)25(23-20)17-7-3-2-4-8-17/h2-8,11-12,15H,9-10,13H2,1H3.
What are the key properties of 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 361.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 4805210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).