6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile

C26H15F3N4O — CID 142295776

IUPAC6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3c(F)cc(F)cc23)nc(N)c(F)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H15F3N4O/c27-15-10-18-20(13-32-25(18)21(28)11-15)24-19(12-30)22(23(29)26(31)33-24)14-6-8-17(9-7-14)34-16-4-2-1-3-5-16/h1-11,13,32H,(H2,31,33)
InChIKeyMEOPLAMZJBQTRP-UHFFFAOYSA-N
MW456.43 g/mol
LogP6.56
Rot. Bonds4

About 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile

6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile (PubChem CID 142295776) has the molecular formula C26H15F3N4O and a molecular weight of 456.43 g/mol. Its IUPAC name is 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
PubChem CID142295776
Molecular FormulaC26H15F3N4O
Molecular Weight456.43 g/mol
Exact Mass456.12
IUPAC Name6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3c(F)cc(F)cc23)nc(N)c(F)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H15F3N4O/c27-15-10-18-20(13-32-25(18)21(28)11-15)24-19(12-30)22(23(29)26(31)33-24)14-6-8-17(9-7-14)34-16-4-2-1-3-5-16/h1-11,13,32H,(H2,31,33)
InChIKeyMEOPLAMZJBQTRP-UHFFFAOYSA-N
XLogP6.56
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.43
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile with MolForge

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Related Compounds

(2R)-3-[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-phenyl-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 134322499
(2R,3R)-3-[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-naphthalen-2-yl-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 138737161
6-amino-4-cyclopropyl-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoropyridine-3-carbonitrile;bicyclo[2.2.2]octane-2-carboxylic acid
CID 142295809
3-[[5-cyano-4-(2-cyanophenyl)-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 134322358
6-(2-bicyclo[2.2.2]octanylamino)-2-(7-chloro-5-fluoro-1H-indol-3-yl)-5-fluoro-4-phenylpyridine-3-carbonitrile
CID 142295781
3-[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-(1-methylpyrrol-3-yl)-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 134322791
6-(2-bicyclo[2.2.2]octanylamino)-2,4-bis(5,7-difluoro-1H-indol-3-yl)-5-fluoropyridine-3-carbonitrile
CID 142295860
3-[[5-cyano-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-4-(furan-2-yl)-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 134322330
(2R)-3-[[[5-cyano-4-(2-cyanophenyl)-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-2-pyridinyl]amino]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 134322486
(2S,3S)-3-[[5-cyano-4-cyclopropyl-6-(5,7-difluoro-1H-indol-3-yl)-3-fluoro-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 134322432
2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 145012852
2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile
CID 134824342

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile (CID 142295776) is 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile is N#Cc1c(-c2c[nH]c3c(F)cc(F)cc23)nc(N)c(F)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is MEOPLAMZJBQTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F3N4O/c27-15-10-18-20(13-32-25(18)21(28)11-15)24-19(12-30)22(23(29)26(31)33-24)14-6-8-17(9-7-14)34-16-4-2-1-3-5-16/h1-11,13,32H,(H2,31,33).
What are the key properties of 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile?
6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 456.43 g/mol, XLogP of 6.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 142295776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).