6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile

C20H20FN7O — CID 166647398

IUPAC6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile
SMILESCCc1ncc(Nc2cc(Nc3cccc(F)c3OC)c(C)c(N)n2)nc1C#N
InChIInChI=1S/C20H20FN7O/c1-4-13-16(9-22)26-18(10-24-13)27-17-8-15(11(2)20(23)28-17)25-14-7-5-6-12(21)19(14)29-3/h5-8,10H,4H2,1-3H3,(H4,23,25,26,27,28)
InChIKeyZQTFHRQIBMSRIY-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.83
Rot. Bonds6

About 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile

6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile (PubChem CID 166647398) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile
PubChem CID166647398
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile
SMILESCCc1ncc(Nc2cc(Nc3cccc(F)c3OC)c(C)c(N)n2)nc1C#N
InChIInChI=1S/C20H20FN7O/c1-4-13-16(9-22)26-18(10-24-13)27-17-8-15(11(2)20(23)28-17)25-14-7-5-6-12(21)19(14)29-3/h5-8,10H,4H2,1-3H3,(H4,23,25,26,27,28)
InChIKeyZQTFHRQIBMSRIY-UHFFFAOYSA-N
XLogP3.83
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-6-[[6-cyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]amino]-4-(3-fluoro-2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 166647486
3-ethyl-6-[[4-(3-fluoro-2-methoxyanilino)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyrazine-2-carbonitrile
CID 146047394
N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide
CID 166647472
3-[(2R)-butan-2-yl]oxy-5-[(8-fluoroisoquinolin-3-yl)amino]pyrazine-2-carbonitrile
CID 59636445
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438526
6-[[4-(3-chloro-2-methoxyanilino)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]-3-ethylpyrazine-2-carbonitrile
CID 146047393
6-[[2-(difluoromethyl)-3-iodophosphanyl-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]imidazo[4,5-b]pyridin-5-yl]amino]-3-methylpyrazine-2-carbonitrile
CID 134512793
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396
3-fluoro-N-iodo-2-methoxyaniline
CID 163582231
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
3-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 175464323
(3-fluoro-2-methoxyphenyl)hydrazine;hydrobromide
CID 138619816

Frequently Asked Questions

What is the IUPAC name of 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile?
The IUPAC name of 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile (CID 166647398) is 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile.
What is the SMILES notation for 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile?
The canonical SMILES for 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile is CCc1ncc(Nc2cc(Nc3cccc(F)c3OC)c(C)c(N)n2)nc1C#N.
What is the InChIKey of 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile?
The InChIKey is ZQTFHRQIBMSRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-4-13-16(9-22)26-18(10-24-13)27-17-8-15(11(2)20(23)28-17)25-14-7-5-6-12(21)19(14)29-3/h5-8,10H,4H2,1-3H3,(H4,23,25,26,27,28).
What are the key properties of 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile?
6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile has a molecular weight of 393.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-amino-4-(3-fluoro-2-methoxyanilino)-5-methyl-2-pyridinyl]amino]-3-ethylpyrazine-2-carbonitrile is sourced from PubChem (CID 166647398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).