1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone

C100H114ClF12N21O5 — CID 157152693

IUPAC1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cccc(C)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cccc2c1ccn2C.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc(F)cc(F)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(C)c(F)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C22H24F3N5O.C20H23F3N4O.C20H24F2N4O.C19H22ClFN4O.C19H21F3N4O/c1-12(31)14-11-15(23)21(28-17-6-4-9-22(24,25)19(17)26)29-20(14)27-16-5-3-7-18-13(16)8-10-30(18)2;1-11-5-3-6-13(9-11)25-18-14(12(2)28)10-15(21)19(27-18)26-16-7-4-8-20(22,23)17(16)24;1-11-7-8-13(9-15(11)21)24-19-14(12(2)27)10-16(22)20(26-19)25-18-6-4-3-5-17(18)23;1-11(26)14-10-15(21)19(24-17-8-3-2-7-16(17)22)25-18(14)23-13-6-4-5-12(20)9-13;1-10(27)14-9-15(22)19(25-17-5-3-2-4-16(17)23)26-18(14)24-13-7-11(20)6-12(21)8-13/h3,5,7-8,10-11,17,19H,4,6,9,26H2,1-2H3,(H2,27,28,29);3,5-6,9-10,16-17H,4,7-8,24H2,1-2H3,(H2,25,26,27);7-10,17-18H,3-6,23H2,1-2H3,(H2,24,25,26);4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,24,25);6-9,16-17H,2-5,23H2,1H3,(H2,24,25,26)/t17-,19-;16-,17-;17-,18+;2*16-,17+/m11000/s1
InChIKeyALLBPODJUDFFGU-KHKXZTERSA-N
MW1953.58 g/mol
LogP21.91
Rot. Bonds25

About 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone

1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone (PubChem CID 157152693) has the molecular formula C100H114ClF12N21O5 and a molecular weight of 1953.58 g/mol. Its IUPAC name is 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone
PubChem CID157152693
Molecular FormulaC100H114ClF12N21O5
Molecular Weight1953.58 g/mol
Exact Mass1951.88
IUPAC Name1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cccc(C)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cccc2c1ccn2C.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc(F)cc(F)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(C)c(F)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C22H24F3N5O.C20H23F3N4O.C20H24F2N4O.C19H22ClFN4O.C19H21F3N4O/c1-12(31)14-11-15(23)21(28-17-6-4-9-22(24,25)19(17)26)29-20(14)27-16-5-3-7-18-13(16)8-10-30(18)2;1-11-5-3-6-13(9-11)25-18-14(12(2)28)10-15(21)19(27-18)26-16-7-4-8-20(22,23)17(16)24;1-11-7-8-13(9-15(11)21)24-19-14(12(2)27)10-16(22)20(26-19)25-18-6-4-3-5-17(18)23;1-11(26)14-10-15(21)19(24-17-8-3-2-7-16(17)22)25-18(14)23-13-6-4-5-12(20)9-13;1-10(27)14-9-15(22)19(25-17-5-3-2-4-16(17)23)26-18(14)24-13-7-11(20)6-12(21)8-13/h3,5,7-8,10-11,17,19H,4,6,9,26H2,1-2H3,(H2,27,28,29);3,5-6,9-10,16-17H,4,7-8,24H2,1-2H3,(H2,25,26,27);7-10,17-18H,3-6,23H2,1-2H3,(H2,24,25,26);4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,24,25);6-9,16-17H,2-5,23H2,1H3,(H2,24,25,26)/t17-,19-;16-,17-;17-,18+;2*16-,17+/m11000/s1
InChIKeyALLBPODJUDFFGU-KHKXZTERSA-N
XLogP21.91
TPSA405.13 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001953.58
LogP ≤ 521.91
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;3-(cyclohexen-1-yl)-1H-indol-5-amine;methane;bis(N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 157366940
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide);methane
CID 158320660
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 158805901
N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 159237465
5-amino-1,3-dihydroindol-2-one;4-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-4-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 160351925
5-amino-1,3-dihydroinden-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)
CID 160678927
4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide
CID 160732396
2-Anilino-6-chloro-5,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylanilino)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-pyrrolidin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 160768887
5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-3-carboxamide;N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 160904596
N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 161124074

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone (CID 157152693) is 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone is CC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cccc(C)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cccc2c1ccn2C.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc(F)cc(F)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(C)c(F)c1.CC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(Cl)c1.
What is the InChIKey of 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone?
The InChIKey is ALLBPODJUDFFGU-KHKXZTERSA-N. The full InChI is InChI=1S/C22H24F3N5O.C20H23F3N4O.C20H24F2N4O.C19H22ClFN4O.C19H21F3N4O/c1-12(31)14-11-15(23)21(28-17-6-4-9-22(24,25)19(17)26)29-20(14)27-16-5-3-7-18-13(16)8-10-30(18)2;1-11-5-3-6-13(9-11)25-18-14(12(2)28)10-15(21)19(27-18)26-16-7-4-8-20(22,23)17(16)24;1-11-7-8-13(9-15(11)21)24-19-14(12(2)27)10-16(22)20(26-19)25-18-6-4-3-5-17(18)23;1-11(26)14-10-15(21)19(24-17-8-3-2-7-16(17)22)25-18(14)23-13-6-4-5-12(20)9-13;1-10(27)14-9-15(22)19(25-17-5-3-2-4-16(17)23)26-18(14)24-13-7-11(20)6-12(21)8-13/h3,5,7-8,10-11,17,19H,4,6,9,26H2,1-2H3,(H2,27,28,29);3,5-6,9-10,16-17H,4,7-8,24H2,1-2H3,(H2,25,26,27);7-10,17-18H,3-6,23H2,1-2H3,(H2,24,25,26);4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,24,25);6-9,16-17H,2-5,23H2,1H3,(H2,24,25,26)/t17-,19-;16-,17-;17-,18+;2*16-,17+/m11000/s1.
What are the key properties of 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone?
1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone has a molecular weight of 1953.58 g/mol, XLogP of 21.91, 25 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoro-3-pyridinyl]ethanone;1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-fluoro-4-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)-3-pyridinyl]ethanone;1-[6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(1-methylindol-4-yl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 157152693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).