5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole

C89H105Cl3N26O11 — CID 158527996

IUPAC5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole
SMILESCOc1c(-c2nnn(C)c2C)cccc1[N+](=O)[O-].COc1c(N)cccc1-c1nnn(C)c1C.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)c1C.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)c1C.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C28H33N7O3.C23H26ClN7O2.C12H13Cl2N3O.C11H12N4O3.C11H14N4O.C4H7NO/c1-16-25(32-33-34(16)3)20-8-7-9-21(27(20)37-4)31-22-14-19(15-23(36)18-11-12-18)30-28-26(22)29-17(2)35(28)24-10-5-6-13-38-24;1-13-20(28-29-30(13)3)15-8-7-9-16(22(15)32-4)26-17-12-18(24)27-23-21(17)25-14(2)31(23)19-10-5-6-11-33-19;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-7-10(12-13-14(7)2)8-5-4-6-9(15(16)17)11(8)18-3;1-7-10(13-14-15(7)2)8-5-4-6-9(12)11(8)16-3;5-4(6)3-1-2-3/h7-9,14,18,24H,5-6,10-13,15H2,1-4H3,(H,30,31);7-9,12,19H,5-6,10-11H2,1-4H3,(H,26,27);6,10H,2-5H2,1H3;4-6H,1-3H3;4-6H,12H2,1-3H3;3H,1-2H2,(H2,5,6)
InChIKeyHNACXLOWYXOKJG-UHFFFAOYSA-N
MW1821.35 g/mol
LogP16.48
Rot. Bonds20

About 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole

5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole (PubChem CID 158527996) has the molecular formula C89H105Cl3N26O11 and a molecular weight of 1821.35 g/mol. Its IUPAC name is 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole.

Molecular Properties

Compound Name5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole
PubChem CID158527996
Molecular FormulaC89H105Cl3N26O11
Molecular Weight1821.35 g/mol
Exact Mass1818.75
IUPAC Name5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole
SMILESCOc1c(-c2nnn(C)c2C)cccc1[N+](=O)[O-].COc1c(N)cccc1-c1nnn(C)c1C.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)c1C.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)c1C.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C28H33N7O3.C23H26ClN7O2.C12H13Cl2N3O.C11H12N4O3.C11H14N4O.C4H7NO/c1-16-25(32-33-34(16)3)20-8-7-9-21(27(20)37-4)31-22-14-19(15-23(36)18-11-12-18)30-28-26(22)29-17(2)35(28)24-10-5-6-13-38-24;1-13-20(28-29-30(13)3)15-8-7-9-16(22(15)32-4)26-17-12-18(24)27-23-21(17)25-14(2)31(23)19-10-5-6-11-33-19;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-7-10(12-13-14(7)2)8-5-4-6-9(15(16)17)11(8)18-3;1-7-10(13-14-15(7)2)8-5-4-6-9(12)11(8)16-3;5-4(6)3-1-2-3/h7-9,14,18,24H,5-6,10-13,15H2,1-4H3,(H,30,31);7-9,12,19H,5-6,10-11H2,1-4H3,(H,26,27);6,10H,2-5H2,1H3;4-6H,1-3H3;4-6H,12H2,1-3H3;3H,1-2H2,(H2,5,6)
InChIKeyHNACXLOWYXOKJG-UHFFFAOYSA-N
XLogP16.48
TPSA432.96 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.35
LogP ≤ 516.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole?
The IUPAC name of 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole (CID 158527996) is 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole.
What is the SMILES notation for 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole?
The canonical SMILES for 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole is COc1c(-c2nnn(C)c2C)cccc1[N+](=O)[O-].COc1c(N)cccc1-c1nnn(C)c1C.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)c1C.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)c1C.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.
What is the InChIKey of 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole?
The InChIKey is HNACXLOWYXOKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3.C23H26ClN7O2.C12H13Cl2N3O.C11H12N4O3.C11H14N4O.C4H7NO/c1-16-25(32-33-34(16)3)20-8-7-9-21(27(20)37-4)31-22-14-19(15-23(36)18-11-12-18)30-28-26(22)29-17(2)35(28)24-10-5-6-13-38-24;1-13-20(28-29-30(13)3)15-8-7-9-16(22(15)32-4)26-17-12-18(24)27-23-21(17)25-14(2)31(23)19-10-5-6-11-33-19;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-7-10(12-13-14(7)2)8-5-4-6-9(15(16)17)11(8)18-3;1-7-10(13-14-15(7)2)8-5-4-6-9(12)11(8)16-3;5-4(6)3-1-2-3/h7-9,14,18,24H,5-6,10-13,15H2,1-4H3,(H,30,31);7-9,12,19H,5-6,10-11H2,1-4H3,(H,26,27);6,10H,2-5H2,1H3;4-6H,1-3H3;4-6H,12H2,1-3H3;3H,1-2H2,(H2,5,6).
What are the key properties of 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole?
5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole has a molecular weight of 1821.35 g/mol, XLogP of 16.48, 20 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-[3-(1,5-dimethyltriazol-4-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-(1,5-dimethyltriazol-4-yl)-2-methoxyaniline;4-(2-methoxy-3-nitrophenyl)-1,5-dimethyltriazole is sourced from PubChem (CID 158527996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).