1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine

C21H13N7S — CID 110170272

IUPAC1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine
SMILESc1ccc2c(-n3cncn3)nnc(-c3ccc(-c4cn5ccccc5n4)s3)c2c1
InChIInChI=1S/C21H13N7S/c1-2-6-15-14(5-1)20(25-26-21(15)28-13-22-12-23-28)18-9-8-17(29-18)16-11-27-10-4-3-7-19(27)24-16/h1-13H
InChIKeyKTARNINFEIPYJR-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.25
Rot. Bonds3

About 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine

1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine (PubChem CID 110170272) has the molecular formula C21H13N7S and a molecular weight of 395.45 g/mol. Its IUPAC name is 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine.

Molecular Properties

Compound Name1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine
PubChem CID110170272
Molecular FormulaC21H13N7S
Molecular Weight395.45 g/mol
Exact Mass395.10
IUPAC Name1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine
SMILESc1ccc2c(-n3cncn3)nnc(-c3ccc(-c4cn5ccccc5n4)s3)c2c1
InChIInChI=1S/C21H13N7S/c1-2-6-15-14(5-1)20(25-26-21(15)28-13-22-12-23-28)18-9-8-17(29-18)16-11-27-10-4-3-7-19(27)24-16/h1-13H
InChIKeyKTARNINFEIPYJR-UHFFFAOYSA-N
XLogP4.25
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine with MolForge

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Related Compounds

2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 22380806
1-(1,2,4-triazol-1-yl)phthalazine
CID 55239789
6-imidazo[1,2-a]pyridin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 152722237
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55922211
2-fluoroimidazo[1,2-a]pyridine
CID 68592134
2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477915
3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine
CID 107085672
1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
CID 110170174
4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]phthalazin-1-one
CID 110170190
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403226
4-imidazo[1,2-a]pyridin-2-ylbenzaldehyde
CID 820963

Frequently Asked Questions

What is the IUPAC name of 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine?
The IUPAC name of 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine (CID 110170272) is 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine.
What is the SMILES notation for 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine?
The canonical SMILES for 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine is c1ccc2c(-n3cncn3)nnc(-c3ccc(-c4cn5ccccc5n4)s3)c2c1.
What is the InChIKey of 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine?
The InChIKey is KTARNINFEIPYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N7S/c1-2-6-15-14(5-1)20(25-26-21(15)28-13-22-12-23-28)18-9-8-17(29-18)16-11-27-10-4-3-7-19(27)24-16/h1-13H.
What are the key properties of 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine?
1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine has a molecular weight of 395.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine is sourced from PubChem (CID 110170272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).