6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C19H16ClN5S — CID 40583645

IUPAC6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cn2c1
InChIInChI=1S/C19H16ClN5S/c20-14-8-9-17-21-15(11-24(17)10-14)12-26-19-23-22-18(13-6-7-13)25(19)16-4-2-1-3-5-16/h1-5,8-11,13H,6-7,12H2
InChIKeyBROPCPIMWLSEJD-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.74
Rot. Bonds5

About 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 40583645) has the molecular formula C19H16ClN5S and a molecular weight of 381.89 g/mol. Its IUPAC name is 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID40583645
Molecular FormulaC19H16ClN5S
Molecular Weight381.89 g/mol
Exact Mass381.08
IUPAC Name6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cn2c1
InChIInChI=1S/C19H16ClN5S/c20-14-8-9-17-21-15(11-24(17)10-14)12-26-19-23-22-18(13-6-7-13)25(19)16-4-2-1-3-5-16/h1-5,8-11,13H,6-7,12H2
InChIKeyBROPCPIMWLSEJD-UHFFFAOYSA-N
XLogP4.74
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 22110828
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
CID 84601588
3-benzylsulfanyl-5-cyclopropyl-4-(4-methoxyphenyl)-1,2,4-triazole
CID 42799246
6-chloro-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40524762
2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 6415925
3-cyclopropyl-4-phenyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 31131524
6-chloro-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 31713133
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 40569985
3-cyclopropyl-5-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-4-phenyl-1,2,4-triazole
CID 112784148
4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 27208163
6-chloro-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 4858868

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 40583645) is 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Clc1ccc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cn2c1.
What is the InChIKey of 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is BROPCPIMWLSEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5S/c20-14-8-9-17-21-15(11-24(17)10-14)12-26-19-23-22-18(13-6-7-13)25(19)16-4-2-1-3-5-16/h1-5,8-11,13H,6-7,12H2.
What are the key properties of 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 381.89 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 40583645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).