2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

C19H18FN7OS — CID 71005999

IUPAC2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2c(cn1)ncn2C
InChIInChI=1S/C19H18FN7OS/c1-3-27-18(14-8-16-15(9-21-14)22-11-26(16)2)24-25-19(27)29-10-17(28)23-13-6-4-12(20)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,23,28)
InChIKeySARZWFJGRRJQQD-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.12
Rot. Bonds6

About 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 71005999) has the molecular formula C19H18FN7OS and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID71005999
Molecular FormulaC19H18FN7OS
Molecular Weight411.47 g/mol
Exact Mass411.13
IUPAC Name2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2c(cn1)ncn2C
InChIInChI=1S/C19H18FN7OS/c1-3-27-18(14-8-16-15(9-21-14)22-11-26(16)2)24-25-19(27)29-10-17(28)23-13-6-4-12(20)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,23,28)
InChIKeySARZWFJGRRJQQD-UHFFFAOYSA-N
XLogP3.12
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 19729650
N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(1-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 71006259
2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 19729660
N-(4-ethylphenyl)-2-[[4-ethyl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 71006415
2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 71006646
2-[[5-([1,3]dioxolo[4,5-c]pyridin-6-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 71005988
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 19729118
2-[[4-ethyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 71006336
2-[[4-ethyl-5-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 53127723
2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide
CID 1256002
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1071824
N-(4-chlorophenyl)-2-[[4-ethyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19633639

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (CID 71005999) is 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2c(cn1)ncn2C.
What is the InChIKey of 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is SARZWFJGRRJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7OS/c1-3-27-18(14-8-16-15(9-21-14)22-11-26(16)2)24-25-19(27)29-10-17(28)23-13-6-4-12(20)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,23,28).
What are the key properties of 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 411.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-(1-methylimidazo[4,5-c]pyridin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71005999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).