6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile

C21H12Cl2F3N5O — CID 164538848

IUPAC6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)cc(OC(F)(F)F)c2)cc(Nc2cc(Cl)c3cc[nH]c3c2)n1
InChIInChI=1S/C21H12Cl2F3N5O/c22-11-3-12(6-16(4-11)32-21(24,25)26)29-13-5-15(10-27)31-20(9-13)30-14-7-18(23)17-1-2-28-19(17)8-14/h1-9,28H,(H2,29,30,31)
InChIKeyRIFBDBGBORJKPV-UHFFFAOYSA-N
MW478.26 g/mol
LogP7.13
Rot. Bonds5

About 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile

6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile (PubChem CID 164538848) has the molecular formula C21H12Cl2F3N5O and a molecular weight of 478.26 g/mol. Its IUPAC name is 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile
PubChem CID164538848
Molecular FormulaC21H12Cl2F3N5O
Molecular Weight478.26 g/mol
Exact Mass477.04
IUPAC Name6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(Cl)cc(OC(F)(F)F)c2)cc(Nc2cc(Cl)c3cc[nH]c3c2)n1
InChIInChI=1S/C21H12Cl2F3N5O/c22-11-3-12(6-16(4-11)32-21(24,25)26)29-13-5-15(10-27)31-20(9-13)30-14-7-18(23)17-1-2-28-19(17)8-14/h1-9,28H,(H2,29,30,31)
InChIKeyRIFBDBGBORJKPV-UHFFFAOYSA-N
XLogP7.13
TPSA85.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.26
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile with MolForge

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Related Compounds

6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 164538891
6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile
CID 164538913
4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine
CID 155746684
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850779
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 164538897
N-[2-[5-[[2-cyano-6-(1H-indol-6-ylamino)-4-pyridinyl]amino]-3-pyridinyl]propyl]-6-(1H-indol-6-ylamino)-4-[[6-(trifluoromethoxy)-3-pyridinyl]amino]pyridine-2-carbonitrilium
CID 164538895
6-(1H-indol-6-ylamino)-4-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 171850841
6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
N-[5-(trifluoromethoxy)-2-pyridinyl]-1H-indol-6-amine
CID 155412381
4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080
6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
CID 171850947

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile (CID 164538848) is 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile is N#Cc1cc(Nc2cc(Cl)cc(OC(F)(F)F)c2)cc(Nc2cc(Cl)c3cc[nH]c3c2)n1.
What is the InChIKey of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile?
The InChIKey is RIFBDBGBORJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F3N5O/c22-11-3-12(6-16(4-11)32-21(24,25)26)29-13-5-15(10-27)31-20(9-13)30-14-7-18(23)17-1-2-28-19(17)8-14/h1-9,28H,(H2,29,30,31).
What are the key properties of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile?
6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile has a molecular weight of 478.26 g/mol, XLogP of 7.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 164538848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).