5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile

C23H20FN7 — CID 70876542

IUPAC5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
SMILESCc1cn(-c2ccc(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)cc2C#N)cn1
InChIInChI=1S/C23H20FN7/c1-15-13-30(14-26-15)21-9-8-19(11-17(21)12-25)27-23-28-22-20(3-2-10-31(22)29-23)16-4-6-18(24)7-5-16/h4-9,11,13-14,20H,2-3,10H2,1H3,(H,27,29)
InChIKeyILSNFOCNBAKQHX-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.45
Rot. Bonds4

About 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile

5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile (PubChem CID 70876542) has the molecular formula C23H20FN7 and a molecular weight of 413.46 g/mol. Its IUPAC name is 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
PubChem CID70876542
Molecular FormulaC23H20FN7
Molecular Weight413.46 g/mol
Exact Mass413.18
IUPAC Name5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
SMILESCc1cn(-c2ccc(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)cc2C#N)cn1
InChIInChI=1S/C23H20FN7/c1-15-13-30(14-26-15)21-9-8-19(11-17(21)12-25)27-23-28-22-20(3-2-10-31(22)29-23)16-4-6-18(24)7-5-16/h4-9,11,13-14,20H,2-3,10H2,1H3,(H,27,29)
InChIKeyILSNFOCNBAKQHX-UHFFFAOYSA-N
XLogP4.45
TPSA84.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile with MolForge

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Related Compounds

2-(4-chloroimidazol-1-yl)-5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 46864631
(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 46864635
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-9-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864433
N-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,1,3-benzoxadiazol-5-amine
CID 118717941
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine;2,2,2-trifluoroacetic acid
CID 46864764
5-[(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 67336644
(9S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864536
5-[[7-(3,5-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 118237949
2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(4-fluorophenyl)-7-N,7-N-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine-2,7-diamine
CID 58110141
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 58110127
(8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 58105138
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 58110101

Frequently Asked Questions

What is the IUPAC name of 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile?
The IUPAC name of 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile (CID 70876542) is 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile?
The canonical SMILES for 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile is Cc1cn(-c2ccc(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)cc2C#N)cn1.
What is the InChIKey of 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile?
The InChIKey is ILSNFOCNBAKQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7/c1-15-13-30(14-26-15)21-9-8-19(11-17(21)12-25)27-23-28-22-20(3-2-10-31(22)29-23)16-4-6-18(24)7-5-16/h4-9,11,13-14,20H,2-3,10H2,1H3,(H,27,29).
What are the key properties of 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile?
5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile has a molecular weight of 413.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 70876542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).