N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide

C21H23FN4OS — CID 69205382

IUPACN-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide
SMILESCCNC(=O)C1CC1c1cc(F)ccc1Sc1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C21H23FN4OS/c1-4-23-21(27)17-10-15(17)16-9-13(22)5-7-18(16)28-14-6-8-19-24-25-20(12(2)3)26(19)11-14/h5-9,11-12,15,17H,4,10H2,1-3H3,(H,23,27)
InChIKeyTVISWYRWVGWSDK-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.38
Rot. Bonds6

About N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide

N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 69205382) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide
PubChem CID69205382
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC NameN-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide
SMILESCCNC(=O)C1CC1c1cc(F)ccc1Sc1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C21H23FN4OS/c1-4-23-21(27)17-10-15(17)16-9-13(22)5-7-18(16)28-14-6-8-19-24-25-20(12(2)3)26(19)11-14/h5-9,11-12,15,17H,4,10H2,1-3H3,(H,23,27)
InChIKeyTVISWYRWVGWSDK-UHFFFAOYSA-N
XLogP4.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 173185327
1-(2-hydroxypropyl)-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]urea
CID 10340902
3-[2-[(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]-5-fluorophenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 69204797
6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227815
2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide
CID 111478117
methyl 3-[6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]benzoate
CID 11538523
[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl N-(cyanomethyl)carbamate
CID 142932334
4-[6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylpentane-1,2-diol
CID 11697345
(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide
CID 129428796
2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
CID 111697735
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide (CID 69205382) is N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide is CCNC(=O)C1CC1c1cc(F)ccc1Sc1ccc2nnc(C(C)C)n2c1.
What is the InChIKey of N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is TVISWYRWVGWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-4-23-21(27)17-10-15(17)16-9-13(22)5-7-18(16)28-14-6-8-19-24-25-20(12(2)3)26(19)11-14/h5-9,11-12,15,17H,4,10H2,1-3H3,(H,23,27).
What are the key properties of N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide?
N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-fluoro-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 69205382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).