3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C172H197Cl10F7N35O14P — CID 159432193

IUPAC3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cnc1N1CCN(C)CC1.COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)c(OC(C)c2c(P(C)(C)=O)ccc(F)c2Cl)c1.COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)c(OC(C)c2cc(F)c(Cl)cc2N(C)C)c1.COc1cc(N2CCN(C)CC2)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.COc1cc(N2CCN(C)C[C@@H]2C)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.COc1nc(N2CCN(C(C)C)CC2)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1cccc(F)c1
InChIInChI=1S/C27H33ClFN5O2.C27H33ClFN4O3P.C25H29Cl2FN6O2.C25H28Cl2FN5O2.2C24H26Cl2FN5O2.C20H22FN5O/c1-17(21-14-23(29)22(28)15-24(21)32(2)3)36-26-12-18(16-31-27(26)30)20-7-6-19(13-25(20)35-5)34-10-8-33(4)9-11-34;1-17(25-24(37(4,5)34)9-8-21(29)26(25)28)36-23-14-18(16-31-27(23)30)20-7-6-19(15-22(20)35-3)33-12-10-32(2)11-13-33;1-14(2)33-7-9-34(10-8-33)25-31-13-17(24(32-25)35-4)16-11-20(23(29)30-12-16)36-15(3)21-18(26)5-6-19(28)22(21)27;1-14-13-32(3)7-8-33(14)22-10-20(34-4)17(12-30-22)16-9-21(25(29)31-11-16)35-15(2)23-18(26)5-6-19(28)24(23)27;1-14(22-17(25)4-5-18(27)23(22)26)34-20-10-15(12-30-24(20)28)16-13-29-21(11-19(16)33-3)32-8-6-31(2)7-9-32;1-14(21-17(25)4-5-18(27)22(21)26)34-19-10-15(12-29-23(19)28)16-11-20(33-3)24(30-13-16)32-8-6-31(2)7-9-32;21-17-2-1-3-19(9-17)27-13-15-8-14(10-24-20(15)22)16-11-25-26(12-16)18-4-6-23-7-5-18/h6-7,12-17H,8-11H2,1-5H3,(H2,30,31);6-9,14-17H,10-13H2,1-5H3,(H2,30,31);5-6,11-15H,7-10H2,1-4H3,(H2,29,30);5-6,9-12,14-15H,7-8,13H2,1-4H3,(H2,29,31);4-5,10-14H,6-9H2,1-3H3,(H2,28,30);4-5,10-14H,6-9H2,1-3H3,(H2,28,29);1-3,8-12,18,23H,4-7,13H2,(H2,22,24)/t;;;14-,15?;;;/m...0.../s1
InChIKeyLRCVDYWEMMLIOP-MMYSHYQUSA-N
MW3497.19 g/mol
LogP34.38
Rot. Bonds44

About 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 159432193) has the molecular formula C172H197Cl10F7N35O14P and a molecular weight of 3497.19 g/mol. Its IUPAC name is 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID159432193
Molecular FormulaC172H197Cl10F7N35O14P
Molecular Weight3497.19 g/mol
Exact Mass3490.23
IUPAC Name3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cnc1N1CCN(C)CC1.COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)c(OC(C)c2c(P(C)(C)=O)ccc(F)c2Cl)c1.COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)c(OC(C)c2cc(F)c(Cl)cc2N(C)C)c1.COc1cc(N2CCN(C)CC2)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.COc1cc(N2CCN(C)C[C@@H]2C)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.COc1nc(N2CCN(C(C)C)CC2)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1cccc(F)c1
InChIInChI=1S/C27H33ClFN5O2.C27H33ClFN4O3P.C25H29Cl2FN6O2.C25H28Cl2FN5O2.2C24H26Cl2FN5O2.C20H22FN5O/c1-17(21-14-23(29)22(28)15-24(21)32(2)3)36-26-12-18(16-31-27(26)30)20-7-6-19(13-25(20)35-5)34-10-8-33(4)9-11-34;1-17(25-24(37(4,5)34)9-8-21(29)26(25)28)36-23-14-18(16-31-27(23)30)20-7-6-19(15-22(20)35-3)33-12-10-32(2)11-13-33;1-14(2)33-7-9-34(10-8-33)25-31-13-17(24(32-25)35-4)16-11-20(23(29)30-12-16)36-15(3)21-18(26)5-6-19(28)22(21)27;1-14-13-32(3)7-8-33(14)22-10-20(34-4)17(12-30-22)16-9-21(25(29)31-11-16)35-15(2)23-18(26)5-6-19(28)24(23)27;1-14(22-17(25)4-5-18(27)23(22)26)34-20-10-15(12-30-24(20)28)16-13-29-21(11-19(16)33-3)32-8-6-31(2)7-9-32;1-14(21-17(25)4-5-18(27)22(21)26)34-19-10-15(12-29-23(19)28)16-11-20(33-3)24(30-13-16)32-8-6-31(2)7-9-32;21-17-2-1-3-19(9-17)27-13-15-8-14(10-24-20(15)22)16-11-25-26(12-16)18-4-6-23-7-5-18/h6-7,12-17H,8-11H2,1-5H3,(H2,30,31);6-9,14-17H,10-13H2,1-5H3,(H2,30,31);5-6,11-15H,7-10H2,1-4H3,(H2,29,30);5-6,9-12,14-15H,7-8,13H2,1-4H3,(H2,29,31);4-5,10-14H,6-9H2,1-3H3,(H2,28,30);4-5,10-14H,6-9H2,1-3H3,(H2,28,29);1-3,8-12,18,23H,4-7,13H2,(H2,22,24)/t;;;14-,15?;;;/m...0.../s1
InChIKeyLRCVDYWEMMLIOP-MMYSHYQUSA-N
XLogP34.38
TPSA545.85 Ų
H-Bond Donors8
H-Bond Acceptors49
Rotatable Bonds44
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003497.19
LogP ≤ 534.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 159432193) is 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is COc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cnc1N1CCN(C)CC1.COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)c(OC(C)c2c(P(C)(C)=O)ccc(F)c2Cl)c1.COc1cc(N2CCN(C)CC2)ccc1-c1cnc(N)c(OC(C)c2cc(F)c(Cl)cc2N(C)C)c1.COc1cc(N2CCN(C)CC2)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.COc1cc(N2CCN(C)C[C@@H]2C)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.COc1nc(N2CCN(C(C)C)CC2)ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1cccc(F)c1.
What is the InChIKey of 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is LRCVDYWEMMLIOP-MMYSHYQUSA-N. The full InChI is InChI=1S/C27H33ClFN5O2.C27H33ClFN4O3P.C25H29Cl2FN6O2.C25H28Cl2FN5O2.2C24H26Cl2FN5O2.C20H22FN5O/c1-17(21-14-23(29)22(28)15-24(21)32(2)3)36-26-12-18(16-31-27(26)30)20-7-6-19(13-25(20)35-5)34-10-8-33(4)9-11-34;1-17(25-24(37(4,5)34)9-8-21(29)26(25)28)36-23-14-18(16-31-27(23)30)20-7-6-19(15-22(20)35-3)33-12-10-32(2)11-13-33;1-14(2)33-7-9-34(10-8-33)25-31-13-17(24(32-25)35-4)16-11-20(23(29)30-12-16)36-15(3)21-18(26)5-6-19(28)22(21)27;1-14-13-32(3)7-8-33(14)22-10-20(34-4)17(12-30-22)16-9-21(25(29)31-11-16)35-15(2)23-18(26)5-6-19(28)24(23)27;1-14(22-17(25)4-5-18(27)23(22)26)34-20-10-15(12-30-24(20)28)16-13-29-21(11-19(16)33-3)32-8-6-31(2)7-9-32;1-14(21-17(25)4-5-18(27)22(21)26)34-19-10-15(12-29-23(19)28)16-11-20(33-3)24(30-13-16)32-8-6-31(2)7-9-32;21-17-2-1-3-19(9-17)27-13-15-8-14(10-24-20(15)22)16-11-25-26(12-16)18-4-6-23-7-5-18/h6-7,12-17H,8-11H2,1-5H3,(H2,30,31);6-9,14-17H,10-13H2,1-5H3,(H2,30,31);5-6,11-15H,7-10H2,1-4H3,(H2,29,30);5-6,9-12,14-15H,7-8,13H2,1-4H3,(H2,29,31);4-5,10-14H,6-9H2,1-3H3,(H2,28,30);4-5,10-14H,6-9H2,1-3H3,(H2,28,29);1-3,8-12,18,23H,4-7,13H2,(H2,22,24)/t;;;14-,15?;;;/m...0.../s1.
What are the key properties of 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 3497.19 g/mol, XLogP of 34.38, 44 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2-chloro-6-dimethylphosphoryl-3-fluorophenyl)ethoxy]-5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-methoxy-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyridin-2-amine;3-[(3-fluorophenoxy)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 159432193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).