6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile

C22H15F3N4O — CID 171850947

IUPAC6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(OCc2ccccc2C(F)(F)F)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-4-2-1-3-15(19)13-30-18-9-17(12-26)29-21(11-18)28-16-6-5-14-7-8-27-20(14)10-16/h1-11,27H,13H2,(H,28,29)
InChIKeyLTGVJFUAIZEWNP-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.78
Rot. Bonds5

About 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile

6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile (PubChem CID 171850947) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
PubChem CID171850947
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(OCc2ccccc2C(F)(F)F)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-4-2-1-3-15(19)13-30-18-9-17(12-26)29-21(11-18)28-16-6-5-14-7-8-27-20(14)10-16/h1-11,27H,13H2,(H,28,29)
InChIKeyLTGVJFUAIZEWNP-UHFFFAOYSA-N
XLogP5.78
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850814
4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850779
6-(1H-indol-6-ylamino)-4-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 171850841
6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
CID 171850799
6-(1H-indol-6-ylamino)-4-[(1-methylindazol-5-yl)methoxy]pyridine-2-carbonitrile
CID 171850912
6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
CID 171850874
N-[5-(trifluoromethoxy)-2-pyridinyl]-1H-indol-6-amine
CID 155412381
6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile
CID 171850898
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 164538897
6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3-benzothiazole-2-carbonitrile
CID 58797707

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile (CID 171850947) is 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile is N#Cc1cc(OCc2ccccc2C(F)(F)F)cc(Nc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile?
The InChIKey is LTGVJFUAIZEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)19-4-2-1-3-15(19)13-30-18-9-17(12-26)29-21(11-18)28-16-6-5-14-7-8-27-20(14)10-16/h1-11,27H,13H2,(H,28,29).
What are the key properties of 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile?
6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile has a molecular weight of 408.38 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 171850947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).