3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine

C191H198Cl14F12N36O16 — CID 158672994

IUPAC3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1CCNCC1.COc1cc(N2CCNCC2)c(Cl)cc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(F)F)c1.COc1cc(N2CCNCC2)ccc1-c1cnc(N)c(OC(C)c2c(C(F)F)ccc(F)c2Cl)c1.COc1cc(N2CCNCC2)ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.COc1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc1C1=CCNCC1.COc1ccc(N2CCNC[C@@H]2C)nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.COc1cnc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1N1CCNCC1.COc1cnc(N2CCNCC2)cc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1
InChIInChI=1S/2C25H26ClF3N4O2.C24H26Cl2FN5O2.C24H25Cl2FN4O2.C24H23Cl2FN4O2.3C23H24Cl2FN5O2/c1-14(18-10-16(27)3-4-17(18)24(28)29)35-23-9-15(13-32-25(23)30)19-11-20(26)21(12-22(19)34-2)33-7-5-31-6-8-33;1-14(22-18(24(28)29)5-6-19(27)23(22)26)35-21-11-15(13-32-25(21)30)17-4-3-16(12-20(17)34-2)33-9-7-31-8-10-33;1-13-11-29-8-9-32(13)20-7-6-18(33-3)23(31-20)15-10-19(24(28)30-12-15)34-14(2)21-16(25)4-5-17(27)22(21)26;1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14;1-13(21-16(25)3-4-17(27)22(21)26)33-20-11-15(12-30-24(20)28)18-5-6-19(32-2)23(31-18)14-7-9-29-10-8-14;1-13(21-16(24)3-4-17(26)22(21)25)33-19-9-14(11-30-23(19)27)15-12-29-20(10-18(15)32-2)31-7-5-28-6-8-31;1-13(21-16(24)3-4-17(26)22(21)25)33-18-9-14(11-30-23(18)27)15-10-20(29-12-19(15)32-2)31-7-5-28-6-8-31;1-13(21-15(24)3-4-16(26)22(21)25)33-19-9-14(11-30-23(19)27)17-10-18(20(32-2)12-29-17)31-7-5-28-6-8-31/h3-4,9-14,24,31H,5-8H2,1-2H3,(H2,30,32);3-6,11-14,24,31H,7-10H2,1-2H3,(H2,30,32);4-7,10,12-14,29H,8-9,11H2,1-3H3,(H2,28,30);3-4,9-14,29H,5-8H2,1-2H3,(H2,28,31);3-7,11-13,29H,8-10H2,1-2H3,(H2,28,30);3*3-4,9-13,28H,5-8H2,1-2H3,(H2,27,30)/t;;13-,14+;5*13-/m..011111/s1
InChIKeyIEEGUXUKBXFHSP-ABGKZZQTSA-N
MW3978.24 g/mol
LogP42.03
Rot. Bonds50

About 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine

3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine (PubChem CID 158672994) has the molecular formula C191H198Cl14F12N36O16 and a molecular weight of 3978.24 g/mol. Its IUPAC name is 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine
PubChem CID158672994
Molecular FormulaC191H198Cl14F12N36O16
Molecular Weight3978.24 g/mol
Exact Mass3969.12
IUPAC Name3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1CCNCC1.COc1cc(N2CCNCC2)c(Cl)cc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(F)F)c1.COc1cc(N2CCNCC2)ccc1-c1cnc(N)c(OC(C)c2c(C(F)F)ccc(F)c2Cl)c1.COc1cc(N2CCNCC2)ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.COc1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc1C1=CCNCC1.COc1ccc(N2CCNC[C@@H]2C)nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.COc1cnc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1N1CCNCC1.COc1cnc(N2CCNCC2)cc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1
InChIInChI=1S/2C25H26ClF3N4O2.C24H26Cl2FN5O2.C24H25Cl2FN4O2.C24H23Cl2FN4O2.3C23H24Cl2FN5O2/c1-14(18-10-16(27)3-4-17(18)24(28)29)35-23-9-15(13-32-25(23)30)19-11-20(26)21(12-22(19)34-2)33-7-5-31-6-8-33;1-14(22-18(24(28)29)5-6-19(27)23(22)26)35-21-11-15(13-32-25(21)30)17-4-3-16(12-20(17)34-2)33-9-7-31-8-10-33;1-13-11-29-8-9-32(13)20-7-6-18(33-3)23(31-20)15-10-19(24(28)30-12-15)34-14(2)21-16(25)4-5-17(27)22(21)26;1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14;1-13(21-16(25)3-4-17(27)22(21)26)33-20-11-15(12-30-24(20)28)18-5-6-19(32-2)23(31-18)14-7-9-29-10-8-14;1-13(21-16(24)3-4-17(26)22(21)25)33-19-9-14(11-30-23(19)27)15-12-29-20(10-18(15)32-2)31-7-5-28-6-8-31;1-13(21-16(24)3-4-17(26)22(21)25)33-18-9-14(11-30-23(18)27)15-10-20(29-12-19(15)32-2)31-7-5-28-6-8-31;1-13(21-15(24)3-4-16(26)22(21)25)33-19-9-14(11-30-23(19)27)17-10-18(20(32-2)12-29-17)31-7-5-28-6-8-31/h3-4,9-14,24,31H,5-8H2,1-2H3,(H2,30,32);3-6,11-14,24,31H,7-10H2,1-2H3,(H2,30,32);4-7,10,12-14,29H,8-9,11H2,1-3H3,(H2,28,30);3-4,9-14,29H,5-8H2,1-2H3,(H2,28,31);3-7,11-13,29H,8-10H2,1-2H3,(H2,28,30);3*3-4,9-13,28H,5-8H2,1-2H3,(H2,27,30)/t;;13-,14+;5*13-/m..011111/s1
InChIKeyIEEGUXUKBXFHSP-ABGKZZQTSA-N
XLogP42.03
TPSA651.98 Ų
H-Bond Donors16
H-Bond Acceptors52
Rotatable Bonds50
Heavy Atoms269
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003978.24
LogP ≤ 542.03
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine (CID 158672994) is 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine is COc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1CCNCC1.COc1cc(N2CCNCC2)c(Cl)cc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(F)F)c1.COc1cc(N2CCNCC2)ccc1-c1cnc(N)c(OC(C)c2c(C(F)F)ccc(F)c2Cl)c1.COc1cc(N2CCNCC2)ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.COc1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc1C1=CCNCC1.COc1ccc(N2CCNC[C@@H]2C)nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.COc1cnc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1N1CCNCC1.COc1cnc(N2CCNCC2)cc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.
What is the InChIKey of 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is IEEGUXUKBXFHSP-ABGKZZQTSA-N. The full InChI is InChI=1S/2C25H26ClF3N4O2.C24H26Cl2FN5O2.C24H25Cl2FN4O2.C24H23Cl2FN4O2.3C23H24Cl2FN5O2/c1-14(18-10-16(27)3-4-17(18)24(28)29)35-23-9-15(13-32-25(23)30)19-11-20(26)21(12-22(19)34-2)33-7-5-31-6-8-33;1-14(22-18(24(28)29)5-6-19(27)23(22)26)35-21-11-15(13-32-25(21)30)17-4-3-16(12-20(17)34-2)33-9-7-31-8-10-33;1-13-11-29-8-9-32(13)20-7-6-18(33-3)23(31-20)15-10-19(24(28)30-12-15)34-14(2)21-16(25)4-5-17(27)22(21)26;1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14;1-13(21-16(25)3-4-17(27)22(21)26)33-20-11-15(12-30-24(20)28)18-5-6-19(32-2)23(31-18)14-7-9-29-10-8-14;1-13(21-16(24)3-4-17(26)22(21)25)33-19-9-14(11-30-23(19)27)15-12-29-20(10-18(15)32-2)31-7-5-28-6-8-31;1-13(21-16(24)3-4-17(26)22(21)25)33-18-9-14(11-30-23(18)27)15-10-20(29-12-19(15)32-2)31-7-5-28-6-8-31;1-13(21-15(24)3-4-16(26)22(21)25)33-19-9-14(11-30-23(19)27)17-10-18(20(32-2)12-29-17)31-7-5-28-6-8-31/h3-4,9-14,24,31H,5-8H2,1-2H3,(H2,30,32);3-6,11-14,24,31H,7-10H2,1-2H3,(H2,30,32);4-7,10,12-14,29H,8-9,11H2,1-3H3,(H2,28,30);3-4,9-14,29H,5-8H2,1-2H3,(H2,28,31);3-7,11-13,29H,8-10H2,1-2H3,(H2,28,30);3*3-4,9-13,28H,5-8H2,1-2H3,(H2,27,30)/t;;13-,14+;5*13-/m..011111/s1.
What are the key properties of 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine?
3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 3978.24 g/mol, XLogP of 42.03, 50 rotatable bonds, 16 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-chloro-6-(difluoromethyl)-3-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine;5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[2-(difluoromethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperidin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 158672994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).