2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol

C64H64F8N24O6 — CID 163690079

IUPAC2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol
SMILESCC(F)(F)Oc1ccc(Nc2ccncc2-c2nnn(CCO)n2)cc1.CC(F)(F)Oc1ccc(Nc2ncccc2-c2nnn(CCO)n2)cc1.CC(F)(F)c1ccc(Nc2ccncc2-c2nnn(CCO)n2)cc1.CC(F)(F)c1ccc(Nc2ncccc2-c2nnn(CCO)n2)cc1
InChIInChI=1S/2C16H16F2N6O2.2C16H16F2N6O/c1-16(17,18)26-12-4-2-11(3-5-12)20-14-6-7-19-10-13(14)15-21-23-24(22-15)8-9-25;1-16(17,18)26-12-6-4-11(5-7-12)20-14-13(3-2-8-19-14)15-21-23-24(22-15)9-10-25;1-16(17,18)11-2-4-12(5-3-11)20-14-6-7-19-10-13(14)15-21-23-24(22-15)8-9-25;1-16(17,18)11-4-6-12(7-5-11)20-14-13(3-2-8-19-14)15-21-23-24(22-15)9-10-25/h2-7,10,25H,8-9H2,1H3,(H,19,20);2-8,25H,9-10H2,1H3,(H,19,20);2-7,10,25H,8-9H2,1H3,(H,19,20);2-8,25H,9-10H2,1H3,(H,19,20)
InChIKeyJSFRFHFBRJFOGB-UHFFFAOYSA-N
MW1417.36 g/mol
LogP10.09
Rot. Bonds26

About 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol

2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol (PubChem CID 163690079) has the molecular formula C64H64F8N24O6 and a molecular weight of 1417.36 g/mol. Its IUPAC name is 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol
PubChem CID163690079
Molecular FormulaC64H64F8N24O6
Molecular Weight1417.36 g/mol
Exact Mass1416.53
IUPAC Name2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol
SMILESCC(F)(F)Oc1ccc(Nc2ccncc2-c2nnn(CCO)n2)cc1.CC(F)(F)Oc1ccc(Nc2ncccc2-c2nnn(CCO)n2)cc1.CC(F)(F)c1ccc(Nc2ccncc2-c2nnn(CCO)n2)cc1.CC(F)(F)c1ccc(Nc2ncccc2-c2nnn(CCO)n2)cc1
InChIInChI=1S/2C16H16F2N6O2.2C16H16F2N6O/c1-16(17,18)26-12-4-2-11(3-5-12)20-14-6-7-19-10-13(14)15-21-23-24(22-15)8-9-25;1-16(17,18)26-12-6-4-11(5-7-12)20-14-13(3-2-8-19-14)15-21-23-24(22-15)9-10-25;1-16(17,18)11-2-4-12(5-3-11)20-14-6-7-19-10-13(14)15-21-23-24(22-15)8-9-25;1-16(17,18)11-4-6-12(7-5-11)20-14-13(3-2-8-19-14)15-21-23-24(22-15)9-10-25/h2-7,10,25H,8-9H2,1H3,(H,19,20);2-8,25H,9-10H2,1H3,(H,19,20);2-7,10,25H,8-9H2,1H3,(H,19,20);2-8,25H,9-10H2,1H3,(H,19,20)
InChIKeyJSFRFHFBRJFOGB-UHFFFAOYSA-N
XLogP10.09
TPSA373.46 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001417.36
LogP ≤ 510.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol with MolForge

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Related Compounds

1-(3-Tert-butyl-1-methylpyrazol-5-yl)-1-[(3-tert-butyl-1-methylpyrazol-5-yl)-[[2,3-difluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]carbamoyl]amino]-3-[2,3-difluoro-4-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]urea
CID 87164418
1,2-Bis[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazine
CID 89924641
1-[4-(2-hydroxyethoxy)-N-[[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoyl]anilino]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 90738642
3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[N-[[4-[2-(dimethylamino)ethoxy]phenyl]carbamoyl]-4-[4-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]anilino]-1-[4-[4-(2-oxa-5-azabicyclo[2.2.2]octan-5-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 91276859
4-[[1-[4-[5-[(4-Aminocyclohexyl)amino]-1-[4-[5-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-yl]-2-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-5-yl]amino]cyclohexan-1-ol
CID 123392035
3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 157549360
6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanol
CID 157689533
1-[4-(6-Tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157751526
3-N-(4-butoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(3,5-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 157824147
3-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-1,3,5-triazine-2,4-diamine;3-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine;3-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 157910137
2-[[4-(1,1-difluoroethyl)-3-fluorophenyl]methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;bis(2-[(3-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine);2-(pyridin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 158082685
2-cyclohexyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-2-yl]acetamide
CID 158109900

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol (CID 163690079) is 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol is CC(F)(F)Oc1ccc(Nc2ccncc2-c2nnn(CCO)n2)cc1.CC(F)(F)Oc1ccc(Nc2ncccc2-c2nnn(CCO)n2)cc1.CC(F)(F)c1ccc(Nc2ccncc2-c2nnn(CCO)n2)cc1.CC(F)(F)c1ccc(Nc2ncccc2-c2nnn(CCO)n2)cc1.
What is the InChIKey of 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
The InChIKey is JSFRFHFBRJFOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16F2N6O2.2C16H16F2N6O/c1-16(17,18)26-12-4-2-11(3-5-12)20-14-6-7-19-10-13(14)15-21-23-24(22-15)8-9-25;1-16(17,18)26-12-6-4-11(5-7-12)20-14-13(3-2-8-19-14)15-21-23-24(22-15)9-10-25;1-16(17,18)11-2-4-12(5-3-11)20-14-6-7-19-10-13(14)15-21-23-24(22-15)8-9-25;1-16(17,18)11-4-6-12(7-5-11)20-14-13(3-2-8-19-14)15-21-23-24(22-15)9-10-25/h2-7,10,25H,8-9H2,1H3,(H,19,20);2-8,25H,9-10H2,1H3,(H,19,20);2-7,10,25H,8-9H2,1H3,(H,19,20);2-8,25H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol has a molecular weight of 1417.36 g/mol, XLogP of 10.09, 26 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethoxy)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[2-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol;2-[5-[4-[4-(1,1-difluoroethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 163690079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).