N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

C126H138F5N23O4 — CID 161403125

IUPACN-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCC(=O)Nc1ccc(-c2cc3c(cc2C#N)N(C(C)C)CCC3)cn1.CC(C)N1CCCc2cc(-c3ccc(C#N)nc3)c(C#N)cc21.CC(C)N1CCCc2cc(-c3cccnc3)c(C#N)cc21.CC(C)N1CCCc2cc(-c3ccncc3)c(C#N)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)F)cc21.CCC(=O)c1ccc(-c2cc3c(cn2)N(C(C)C)CCC3)cn1
InChIInChI=1S/C20H22N4O.C19H18N4.C19H23N3O.2C18H19N3.C16H18F3N3O.C16H19F2N3O/c1-13(2)24-8-4-5-15-9-18(17(11-21)10-19(15)24)16-6-7-20(22-12-16)23-14(3)25;1-13(2)23-7-3-4-14-8-18(16(10-20)9-19(14)23)15-5-6-17(11-21)22-12-15;1-4-19(23)16-8-7-15(11-20-16)17-10-14-6-5-9-22(13(2)3)18(14)12-21-17;1-13(2)21-8-4-6-14-9-17(15-5-3-7-20-12-15)16(11-19)10-18(14)21;1-13(2)21-9-3-4-15-10-17(14-5-7-20-8-6-14)16(12-19)11-18(15)21;1-10(2)22-4-5-23-15-6-12(11-8-20-21(3)9-11)13(7-14(15)22)16(17,18)19;1-10(2)21-4-5-22-15-7-12(11-8-19-20(3)9-11)13(16(17)18)6-14(15)21/h6-7,9-10,12-13H,4-5,8H2,1-3H3,(H,22,23,25);5-6,8-9,12-13H,3-4,7H2,1-2H3;7-8,10-13H,4-6,9H2,1-3H3;3,5,7,9-10,12-13H,4,6,8H2,1-2H3;5-8,10-11,13H,3-4,9H2,1-2H3;6-10H,4-5H2,1-3H3;6-10,16H,4-5H2,1-3H3
InChIKeyVUMMHJOPGFHGBT-UHFFFAOYSA-N
MW2133.64 g/mol
LogP26.20
Rot. Bonds18

About N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 161403125) has the molecular formula C126H138F5N23O4 and a molecular weight of 2133.64 g/mol. Its IUPAC name is N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.

Molecular Properties

Compound NameN-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
PubChem CID161403125
Molecular FormulaC126H138F5N23O4
Molecular Weight2133.64 g/mol
Exact Mass2132.12
IUPAC NameN-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCC(=O)Nc1ccc(-c2cc3c(cc2C#N)N(C(C)C)CCC3)cn1.CC(C)N1CCCc2cc(-c3ccc(C#N)nc3)c(C#N)cc21.CC(C)N1CCCc2cc(-c3cccnc3)c(C#N)cc21.CC(C)N1CCCc2cc(-c3ccncc3)c(C#N)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)F)cc21.CCC(=O)c1ccc(-c2cc3c(cn2)N(C(C)C)CCC3)cn1
InChIInChI=1S/C20H22N4O.C19H18N4.C19H23N3O.2C18H19N3.C16H18F3N3O.C16H19F2N3O/c1-13(2)24-8-4-5-15-9-18(17(11-21)10-19(15)24)16-6-7-20(22-12-16)23-14(3)25;1-13(2)23-7-3-4-14-8-18(16(10-20)9-19(14)23)15-5-6-17(11-21)22-12-15;1-4-19(23)16-8-7-15(11-20-16)17-10-14-6-5-9-22(13(2)3)18(14)12-21-17;1-13(2)21-8-4-6-14-9-17(15-5-3-7-20-12-15)16(11-19)10-18(14)21;1-13(2)21-9-3-4-15-10-17(14-5-7-20-8-6-14)16(12-19)11-18(15)21;1-10(2)22-4-5-23-15-6-12(11-8-20-21(3)9-11)13(7-14(15)22)16(17,18)19;1-10(2)21-4-5-22-15-7-12(11-8-19-20(3)9-11)13(16(17)18)6-14(15)21/h6-7,9-10,12-13H,4-5,8H2,1-3H3,(H,22,23,25);5-6,8-9,12-13H,3-4,7H2,1-2H3;7-8,10-13H,4-6,9H2,1-3H3;3,5,7,9-10,12-13H,4,6,8H2,1-2H3;5-8,10-11,13H,3-4,9H2,1-2H3;6-10H,4-5H2,1-3H3;6-10,16H,4-5H2,1-3H3
InChIKeyVUMMHJOPGFHGBT-UHFFFAOYSA-N
XLogP26.20
TPSA319.24 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002133.64
LogP ≤ 526.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

US12486251, Example 65
CID 166806627
[5-Methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123175965
6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
3-[4-[methyl-[[4-[2-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]phenoxy]ethyl]morpholin-3-yl]methyl]carbamoyl]phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 143484173
N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 157214201
N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 157569777
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 157585421
(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine
CID 158022688
5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158047772
3-[2-(3-amino-1-ethoxyisoquinolin-4-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-[3-amino-8-(1-methylpyrazol-3-yl)isoquinolin-4-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(6-amino-1,7-naphthyridin-5-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 158401841
N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 159085972
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[5-cyano-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(5-cyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159517308

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The IUPAC name of N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 161403125) is N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.
What is the SMILES notation for N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The canonical SMILES for N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is CC(=O)Nc1ccc(-c2cc3c(cc2C#N)N(C(C)C)CCC3)cn1.CC(C)N1CCCc2cc(-c3ccc(C#N)nc3)c(C#N)cc21.CC(C)N1CCCc2cc(-c3cccnc3)c(C#N)cc21.CC(C)N1CCCc2cc(-c3ccncc3)c(C#N)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)F)cc21.CCC(=O)c1ccc(-c2cc3c(cn2)N(C(C)C)CCC3)cn1.
What is the InChIKey of N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The InChIKey is VUMMHJOPGFHGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.C19H18N4.C19H23N3O.2C18H19N3.C16H18F3N3O.C16H19F2N3O/c1-13(2)24-8-4-5-15-9-18(17(11-21)10-19(15)24)16-6-7-20(22-12-16)23-14(3)25;1-13(2)23-7-3-4-14-8-18(16(10-20)9-19(14)23)15-5-6-17(11-21)22-12-15;1-4-19(23)16-8-7-15(11-20-16)17-10-14-6-5-9-22(13(2)3)18(14)12-21-17;1-13(2)21-8-4-6-14-9-17(15-5-3-7-20-12-15)16(11-19)10-18(14)21;1-13(2)21-9-3-4-15-10-17(14-5-7-20-8-6-14)16(12-19)11-18(15)21;1-10(2)22-4-5-23-15-6-12(11-8-20-21(3)9-11)13(7-14(15)22)16(17,18)19;1-10(2)21-4-5-22-15-7-12(11-8-19-20(3)9-11)13(16(17)18)6-14(15)21/h6-7,9-10,12-13H,4-5,8H2,1-3H3,(H,22,23,25);5-6,8-9,12-13H,3-4,7H2,1-2H3;7-8,10-13H,4-6,9H2,1-3H3;3,5,7,9-10,12-13H,4,6,8H2,1-2H3;5-8,10-11,13H,3-4,9H2,1-2H3;6-10H,4-5H2,1-3H3;6-10,16H,4-5H2,1-3H3.
What are the key properties of N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 2133.64 g/mol, XLogP of 26.20, 18 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-cyano-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide;6-(6-cyano-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine;1-[5-(1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridin-6-yl)-2-pyridinyl]propan-1-one;1-propan-2-yl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-propan-2-yl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 161403125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).