6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

C182H174Cl8N38O24 — CID 159428894

IUPAC6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)[C@H](C)C(=O)O[C@@H]1CCN(c2ccc(-n3cnn4cc(-c5ccc(Cl)cc5)cc4c3=O)cn2)C1.CCC1CCN(c2ccc(-n3cnn4nc(-c5ccc(Cl)cn5)cc4c3=O)cn2)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1.COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1OC
InChIInChI=1S/C27H28ClN5O3.C24H24ClN5O3.2C23H21ClN4O4.C23H23ClN4O3.C22H22ClN5O3.C21H20ClN7O.C19H15ClN4O3/c1-17(2)18(3)27(35)36-23-10-11-31(15-23)25-9-8-22(13-29-25)32-16-30-33-14-20(12-24(33)26(32)34)19-4-6-21(28)7-5-19;1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17;1-31-21-10-17(8-9-20(21)32-12-19(29)15-2-3-15)27-13-25-28-11-18(26-22(28)23(27)30)14-4-6-16(24)7-5-14;1-31-22-10-17(8-9-21(22)32-12-20(29)15-2-3-15)27-13-25-28-19(23(27)30)11-18(26-28)14-4-6-16(24)7-5-14;1-23(2,3)13-31-20-8-6-17(10-21(20)30-4)27-14-26-28-12-15(9-19(28)22(27)29)18-7-5-16(24)11-25-18;1-22(2,3)12-31-18-6-5-16(8-19(18)30-4)27-13-26-28-11-14(7-17(28)21(27)29)20-24-9-15(23)10-25-20;1-2-14-7-8-27(12-14)20-6-4-16(11-24-20)28-13-25-29-19(21(28)30)9-18(26-29)17-5-3-15(22)10-23-17;1-26-16-8-7-14(9-17(16)27-2)23-11-21-24-10-15(22-18(24)19(23)25)12-3-5-13(20)6-4-12/h4-9,12-14,16-18,23H,10-11,15H2,1-3H3;4-9,14-16H,2-3,10-13H2,1H3;4-11,13,15,19,29H,2-3,12H2,1H3;4-11,13,15,20,29H,2-3,12H2,1H3;5-12,14H,13H2,1-4H3;5-11,13H,12H2,1-4H3;3-6,9-11,13-14H,2,7-8,12H2,1H3;3-11H,1-2H3/t18-,23+;;;;;;;/m0......./s1
InChIKeyLQSOXBNELNVGDO-WULAXNDSSA-N
MW3561.26 g/mol
LogP30.12
Rot. Bonds45

About 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 159428894) has the molecular formula C182H174Cl8N38O24 and a molecular weight of 3561.26 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID159428894
Molecular FormulaC182H174Cl8N38O24
Molecular Weight3561.26 g/mol
Exact Mass3555.11
IUPAC Name6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)[C@H](C)C(=O)O[C@@H]1CCN(c2ccc(-n3cnn4cc(-c5ccc(Cl)cc5)cc4c3=O)cn2)C1.CCC1CCN(c2ccc(-n3cnn4nc(-c5ccc(Cl)cn5)cc4c3=O)cn2)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1.COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1OC
InChIInChI=1S/C27H28ClN5O3.C24H24ClN5O3.2C23H21ClN4O4.C23H23ClN4O3.C22H22ClN5O3.C21H20ClN7O.C19H15ClN4O3/c1-17(2)18(3)27(35)36-23-10-11-31(15-23)25-9-8-22(13-29-25)32-16-30-33-14-20(12-24(33)26(32)34)19-4-6-21(28)7-5-19;1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17;1-31-21-10-17(8-9-20(21)32-12-19(29)15-2-3-15)27-13-25-28-11-18(26-22(28)23(27)30)14-4-6-16(24)7-5-14;1-31-22-10-17(8-9-21(22)32-12-20(29)15-2-3-15)27-13-25-28-19(23(27)30)11-18(26-28)14-4-6-16(24)7-5-14;1-23(2,3)13-31-20-8-6-17(10-21(20)30-4)27-14-26-28-12-15(9-19(28)22(27)29)18-7-5-16(24)11-25-18;1-22(2,3)12-31-18-6-5-16(8-19(18)30-4)27-13-26-28-11-14(7-17(28)21(27)29)20-24-9-15(23)10-25-20;1-2-14-7-8-27(12-14)20-6-4-16(11-24-20)28-13-25-29-19(21(28)30)9-18(26-29)17-5-3-15(22)10-23-17;1-26-16-8-7-14(9-17(16)27-2)23-11-21-24-10-15(22-18(24)19(23)25)12-3-5-13(20)6-4-12/h4-9,12-14,16-18,23H,10-11,15H2,1-3H3;4-9,14-16H,2-3,10-13H2,1H3;4-11,13,15,19,29H,2-3,12H2,1H3;4-11,13,15,20,29H,2-3,12H2,1H3;5-12,14H,13H2,1-4H3;5-11,13H,12H2,1-4H3;3-6,9-11,13-14H,2,7-8,12H2,1H3;3-11H,1-2H3/t18-,23+;;;;;;;/m0......./s1
InChIKeyLQSOXBNELNVGDO-WULAXNDSSA-N
XLogP30.12
TPSA643.43 Ų
H-Bond Donors2
H-Bond Acceptors62
Rotatable Bonds45
Heavy Atoms252
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003561.26
LogP ≤ 530.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1062

Analyze 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 159428894) is 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is CC(C)[C@H](C)C(=O)O[C@@H]1CCN(c2ccc(-n3cnn4cc(-c5ccc(Cl)cc5)cc4c3=O)cn2)C1.CCC1CCN(c2ccc(-n3cnn4nc(-c5ccc(Cl)cn5)cc4c3=O)cn2)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1.COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1OC.
What is the InChIKey of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is LQSOXBNELNVGDO-WULAXNDSSA-N. The full InChI is InChI=1S/C27H28ClN5O3.C24H24ClN5O3.2C23H21ClN4O4.C23H23ClN4O3.C22H22ClN5O3.C21H20ClN7O.C19H15ClN4O3/c1-17(2)18(3)27(35)36-23-10-11-31(15-23)25-9-8-22(13-29-25)32-16-30-33-14-20(12-24(33)26(32)34)19-4-6-21(28)7-5-19;1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17;1-31-21-10-17(8-9-20(21)32-12-19(29)15-2-3-15)27-13-25-28-11-18(26-22(28)23(27)30)14-4-6-16(24)7-5-14;1-31-22-10-17(8-9-21(22)32-12-20(29)15-2-3-15)27-13-25-28-19(23(27)30)11-18(26-28)14-4-6-16(24)7-5-14;1-23(2,3)13-31-20-8-6-17(10-21(20)30-4)27-14-26-28-12-15(9-19(28)22(27)29)18-7-5-16(24)11-25-18;1-22(2,3)12-31-18-6-5-16(8-19(18)30-4)27-13-26-28-11-14(7-17(28)21(27)29)20-24-9-15(23)10-25-20;1-2-14-7-8-27(12-14)20-6-4-16(11-24-20)28-13-25-29-19(21(28)30)9-18(26-29)17-5-3-15(22)10-23-17;1-26-16-8-7-14(9-17(16)27-2)23-11-21-24-10-15(22-18(24)19(23)25)12-3-5-13(20)6-4-12/h4-9,12-14,16-18,23H,10-11,15H2,1-3H3;4-9,14-16H,2-3,10-13H2,1H3;4-11,13,15,19,29H,2-3,12H2,1H3;4-11,13,15,20,29H,2-3,12H2,1H3;5-12,14H,13H2,1-4H3;5-11,13H,12H2,1-4H3;3-6,9-11,13-14H,2,7-8,12H2,1H3;3-11H,1-2H3/t18-,23+;;;;;;;/m0......./s1.
What are the key properties of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 3561.26 g/mol, XLogP of 30.12, 45 rotatable bonds, 2 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 159428894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).