4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine

C169H176Cl11F12N35O14 — CID 159468044

IUPAC4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1=CCNCC1.COc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc(N2CCNCC2)c1.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ncc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1.COc1cc(N2CCNC(=O)C2)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)nc1N1CCNCC1.COc1ccc(N2CCNCC2)nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.Nc1ncc(-c2cncc(N3CCNCC3)c2)cc1OC(c1cc(F)ccc1Cl)C(F)(F)F
InChIInChI=1S/C31H39F3N6O2.C24H23Cl2FN4O2.C23H22Cl2FN5O3.3C23H24Cl2FN5O2.C22H20ClF4N5O/c1-20(24-16-22(32)5-6-26(24)31(2,33)34)42-28-15-21(18-37-30(28)35)25-19-36-29(17-27(25)41-4)40-9-7-23(8-10-40)39-13-11-38(3)12-14-39;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;1-12(21-15(24)3-4-16(26)22(21)25)34-18-7-13(9-30-23(18)27)14-10-29-19(8-17(14)33-2)31-6-5-28-20(32)11-31;1-13(21-16(24)3-4-17(26)22(21)25)33-19-9-14(12-29-23(19)27)18-10-15(32-2)11-20(30-18)31-7-5-28-6-8-31;1-13(20-15(24)3-4-16(26)21(20)25)33-18-11-14(12-29-23(18)27)22-17(32-2)5-6-19(30-22)31-9-7-28-8-10-31;1-13(20-15(24)3-4-16(26)21(20)25)33-19-11-14(12-29-22(19)27)17-5-6-18(32-2)23(30-17)31-9-7-28-8-10-31;23-18-2-1-15(24)9-17(18)20(22(25,26)27)33-19-8-14(11-31-21(19)28)13-7-16(12-30-10-13)32-5-3-29-4-6-32/h5-6,15-20,23H,7-14H2,1-4H3,(H2,35,37);3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31);3-4,7-10,12H,5-6,11H2,1-2H3,(H2,27,30)(H,28,32);3-4,9-13,28H,5-8H2,1-2H3,(H2,27,29);2*3-6,11-13,28H,7-10H2,1-2H3,(H2,27,29);1-2,7-12,20,29H,3-6H2,(H2,28,31)/t;13-;12-;3*13-;/m.11111./s1
InChIKeyLVLBQURIAFCVGY-CBKDUJLHSA-N
MW3539.46 g/mol
LogP34.09
Rot. Bonds43

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

4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine (PubChem CID 159468044) has the molecular formula C169H176Cl11F12N35O14 and a molecular weight of 3539.46 g/mol. Its IUPAC name is 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine
PubChem CID159468044
Molecular FormulaC169H176Cl11F12N35O14
Molecular Weight3539.46 g/mol
Exact Mass3532.05
IUPAC Name4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1=CCNCC1.COc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc(N2CCNCC2)c1.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ncc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1.COc1cc(N2CCNC(=O)C2)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)nc1N1CCNCC1.COc1ccc(N2CCNCC2)nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.Nc1ncc(-c2cncc(N3CCNCC3)c2)cc1OC(c1cc(F)ccc1Cl)C(F)(F)F
InChIInChI=1S/C31H39F3N6O2.C24H23Cl2FN4O2.C23H22Cl2FN5O3.3C23H24Cl2FN5O2.C22H20ClF4N5O/c1-20(24-16-22(32)5-6-26(24)31(2,33)34)42-28-15-21(18-37-30(28)35)25-19-36-29(17-27(25)41-4)40-9-7-23(8-10-40)39-13-11-38(3)12-14-39;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;1-12(21-15(24)3-4-16(26)22(21)25)34-18-7-13(9-30-23(18)27)14-10-29-19(8-17(14)33-2)31-6-5-28-20(32)11-31;1-13(21-16(24)3-4-17(26)22(21)25)33-19-9-14(12-29-23(19)27)18-10-15(32-2)11-20(30-18)31-7-5-28-6-8-31;1-13(20-15(24)3-4-16(26)21(20)25)33-18-11-14(12-29-23(18)27)22-17(32-2)5-6-19(30-22)31-9-7-28-8-10-31;1-13(20-15(24)3-4-16(26)21(20)25)33-19-11-14(12-29-22(19)27)17-5-6-18(32-2)23(30-17)31-9-7-28-8-10-31;23-18-2-1-15(24)9-17(18)20(22(25,26)27)33-19-8-14(11-31-21(19)28)13-7-16(12-30-10-13)32-5-3-29-4-6-32/h5-6,15-20,23H,7-14H2,1-4H3,(H2,35,37);3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31);3-4,7-10,12H,5-6,11H2,1-2H3,(H2,27,30)(H,28,32);3-4,9-13,28H,5-8H2,1-2H3,(H2,27,29);2*3-6,11-13,28H,7-10H2,1-2H3,(H2,27,29);1-2,7-12,20,29H,3-6H2,(H2,28,31)/t;13-;12-;3*13-;/m.11111./s1
InChIKeyLVLBQURIAFCVGY-CBKDUJLHSA-N
XLogP34.09
TPSA597.76 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms241
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003539.46
LogP ≤ 534.09
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine (CID 159468044) is 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine is COc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1=CCNCC1.COc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc(N2CCNCC2)c1.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ncc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1.COc1cc(N2CCNC(=O)C2)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)nc1N1CCNCC1.COc1ccc(N2CCNCC2)nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.Nc1ncc(-c2cncc(N3CCNCC3)c2)cc1OC(c1cc(F)ccc1Cl)C(F)(F)F.
What is the InChIKey of 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine?
The InChIKey is LVLBQURIAFCVGY-CBKDUJLHSA-N. The full InChI is InChI=1S/C31H39F3N6O2.C24H23Cl2FN4O2.C23H22Cl2FN5O3.3C23H24Cl2FN5O2.C22H20ClF4N5O/c1-20(24-16-22(32)5-6-26(24)31(2,33)34)42-28-15-21(18-37-30(28)35)25-19-36-29(17-27(25)41-4)40-9-7-23(8-10-40)39-13-11-38(3)12-14-39;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;1-12(21-15(24)3-4-16(26)22(21)25)34-18-7-13(9-30-23(18)27)14-10-29-19(8-17(14)33-2)31-6-5-28-20(32)11-31;1-13(21-16(24)3-4-17(26)22(21)25)33-19-9-14(12-29-23(19)27)18-10-15(32-2)11-20(30-18)31-7-5-28-6-8-31;1-13(20-15(24)3-4-16(26)21(20)25)33-18-11-14(12-29-23(18)27)22-17(32-2)5-6-19(30-22)31-9-7-28-8-10-31;1-13(20-15(24)3-4-16(26)21(20)25)33-19-11-14(12-29-22(19)27)17-5-6-18(32-2)23(30-17)31-9-7-28-8-10-31;23-18-2-1-15(24)9-17(18)20(22(25,26)27)33-19-8-14(11-31-21(19)28)13-7-16(12-30-10-13)32-5-3-29-4-6-32/h5-6,15-20,23H,7-14H2,1-4H3,(H2,35,37);3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31);3-4,7-10,12H,5-6,11H2,1-2H3,(H2,27,30)(H,28,32);3-4,9-13,28H,5-8H2,1-2H3,(H2,27,29);2*3-6,11-13,28H,7-10H2,1-2H3,(H2,27,29);1-2,7-12,20,29H,3-6H2,(H2,28,31)/t;13-;12-;3*13-;/m.11111./s1.
What are the key properties of 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine?
4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine has a molecular weight of 3539.46 g/mol, XLogP of 34.09, 43 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-4-methoxy-2-pyridinyl]piperazin-2-one;3-[1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 159468044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).