3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine

C129H119Cl6F6N23O9 — CID 160574273

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine
SMILESCC(Oc1cc(-c2cccc(N3CCOCC3)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2cc3ccccc3cn2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2ccc3ccccc3n2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2nccc3ccccc23)cnc1N)c1cc(F)ccc1Cl.CCOC(C)n1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1
InChIInChI=1S/C23H23ClFN3O2.3C22H18ClFN4O.C20H20ClFN4O2.C20H22ClFN4O2/c1-15(20-13-18(25)5-6-21(20)24)30-22-12-17(14-27-23(22)26)16-3-2-4-19(11-16)28-7-9-29-10-8-28;1-13(17-10-15(24)7-8-18(17)23)29-20-11-16(12-26-22(20)25)27-21-9-6-14-4-2-3-5-19(14)28-21;1-13(18-9-16(24)6-7-19(18)23)29-20-10-17(12-27-22(20)25)28-21-8-14-4-2-3-5-15(14)11-26-21;1-13(18-10-15(24)6-7-19(18)23)29-20-11-16(12-27-21(20)25)28-22-17-5-3-2-4-14(17)8-9-26-22;1-12(17-7-15(22)2-3-18(17)21)28-19-6-13(8-24-20(19)23)14-9-25-26(10-14)16-4-5-27-11-16;1-4-27-13(3)26-11-15(10-25-26)14-7-19(20(23)24-9-14)28-12(2)17-8-16(22)5-6-18(17)21/h2-6,11-15H,7-10H2,1H3,(H2,26,27);2-13H,1H3,(H2,25,26)(H,27,28);2*2-13H,1H3,(H2,25,27)(H,26,28);2-3,6-10,12,16H,4-5,11H2,1H3,(H2,23,24);5-13H,4H2,1-3H3,(H2,23,24)
InChIKeyRAYFHZHAESZXQI-UHFFFAOYSA-N
MW2462.23 g/mol
LogP32.20
Rot. Bonds32

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine (PubChem CID 160574273) has the molecular formula C129H119Cl6F6N23O9 and a molecular weight of 2462.23 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine
PubChem CID160574273
Molecular FormulaC129H119Cl6F6N23O9
Molecular Weight2462.23 g/mol
Exact Mass2457.76
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine
SMILESCC(Oc1cc(-c2cccc(N3CCOCC3)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2cc3ccccc3cn2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2ccc3ccccc3n2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2nccc3ccccc23)cnc1N)c1cc(F)ccc1Cl.CCOC(C)n1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1
InChIInChI=1S/C23H23ClFN3O2.3C22H18ClFN4O.C20H20ClFN4O2.C20H22ClFN4O2/c1-15(20-13-18(25)5-6-21(20)24)30-22-12-17(14-27-23(22)26)16-3-2-4-19(11-16)28-7-9-29-10-8-28;1-13(17-10-15(24)7-8-18(17)23)29-20-11-16(12-26-22(20)25)27-21-9-6-14-4-2-3-5-19(14)28-21;1-13(18-9-16(24)6-7-19(18)23)29-20-10-17(12-27-22(20)25)28-21-8-14-4-2-3-5-15(14)11-26-21;1-13(18-10-15(24)6-7-19(18)23)29-20-11-16(12-27-21(20)25)28-22-17-5-3-2-4-14(17)8-9-26-22;1-12(17-7-15(22)2-3-18(17)21)28-19-6-13(8-24-20(19)23)14-9-25-26(10-14)16-4-5-27-11-16;1-4-27-13(3)26-11-15(10-25-26)14-7-19(20(23)24-9-14)28-12(2)17-8-16(22)5-6-18(17)21/h2-6,11-15H,7-10H2,1H3,(H2,26,27);2-13H,1H3,(H2,25,26)(H,27,28);2*2-13H,1H3,(H2,25,27)(H,26,28);2-3,6-10,12,16H,4-5,11H2,1H3,(H2,23,24);5-13H,4H2,1-3H3,(H2,23,24)
InChIKeyRAYFHZHAESZXQI-UHFFFAOYSA-N
XLogP32.20
TPSA430.17 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002462.23
LogP ≤ 532.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine with MolForge

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Related Compounds

2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(4,4-difluorocyclohexyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 157757769
3-(4-chloro-2-pyridinyl)-1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine;1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)-3-[4-(2,2,6,6-tetrafluoromorpholin-4-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine;N-(oxan-4-yl)-3-[4-(2,2,6,6-tetrafluoromorpholin-4-yl)-2-pyridinyl]-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 159071505
2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(4,4-difluorocyclohexyl)-N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 159115850
4-[2-[4-(6-Chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
CID 159946108
1-[4-(2-amino-5-chloro-3-pyridinyl)triazol-1-yl]-3-phenylbutan-2-ol;N-[2-(3-ethoxy-5-methylpyrazol-1-yl)-3-(2-methylphenyl)butyl]quinolin-3-amine;N-[2-(3-ethoxy-5-propan-2-ylpyrazol-1-yl)-3-(2-methyl-3-pyridinyl)butyl]quinolin-3-amine;N-(2-fluoro-3-quinolin-3-ylbutyl)quinolin-3-amine;4-[1-(2-methoxyphenyl)ethyl]-1-propyl-3-pyridin-3-ylimidazolidin-2-one;4-(5-methyl-3-phenylpyrazol-1-yl)-3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 161236928
6-chloro-7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[4,3-d]pyrimidin-2-one
CID 165004446
(3R)-3-[3-chloro-5-fluoro-2-[[4-(4-fluoropyrazol-1-yl)-2-methylquinolin-8-yl]oxymethyl]phenyl]-4-[3-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]morpholine
CID 175202949
4-[3-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 157378522
2-chloro-7-(2-chloro-4,5-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2-chloro-4,5-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 157408061
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]pyridin-2-amine;ethyl 1-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazole-4-carboxylate
CID 158106244
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[[(2S)-2-(hydroxymethyl)oxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-(3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158576255
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyridin-4-amine
CID 158663029

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine (CID 160574273) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine is CC(Oc1cc(-c2cccc(N3CCOCC3)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2cc3ccccc3cn2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2ccc3ccccc3n2)cnc1N)c1cc(F)ccc1Cl.CC(Oc1cc(Nc2nccc3ccccc23)cnc1N)c1cc(F)ccc1Cl.CCOC(C)n1cc(-c2cnc(N)c(OC(C)c3cc(F)ccc3Cl)c2)cn1.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine?
The InChIKey is RAYFHZHAESZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2.3C22H18ClFN4O.C20H20ClFN4O2.C20H22ClFN4O2/c1-15(20-13-18(25)5-6-21(20)24)30-22-12-17(14-27-23(22)26)16-3-2-4-19(11-16)28-7-9-29-10-8-28;1-13(17-10-15(24)7-8-18(17)23)29-20-11-16(12-26-22(20)25)27-21-9-6-14-4-2-3-5-19(14)28-21;1-13(18-9-16(24)6-7-19(18)23)29-20-10-17(12-27-22(20)25)28-21-8-14-4-2-3-5-15(14)11-26-21;1-13(18-10-15(24)6-7-19(18)23)29-20-11-16(12-27-21(20)25)28-22-17-5-3-2-4-14(17)8-9-26-22;1-12(17-7-15(22)2-3-18(17)21)28-19-6-13(8-24-20(19)23)14-9-25-26(10-14)16-4-5-27-11-16;1-4-27-13(3)26-11-15(10-25-26)14-7-19(20(23)24-9-14)28-12(2)17-8-16(22)5-6-18(17)21/h2-6,11-15H,7-10H2,1H3,(H2,26,27);2-13H,1H3,(H2,25,26)(H,27,28);2*2-13H,1H3,(H2,25,27)(H,26,28);2-3,6-10,12,16H,4-5,11H2,1H3,(H2,23,24);5-13H,4H2,1-3H3,(H2,23,24).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine has a molecular weight of 2462.23 g/mol, XLogP of 32.20, 32 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(1-ethoxyethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-1-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-isoquinolin-3-ylpyridine-2,5-diamine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylphenyl)pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-N-quinolin-2-ylpyridine-2,5-diamine is sourced from PubChem (CID 160574273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).