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

C86H95Cl3F4N16O10 — CID 158668119

IUPAC5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline
SMILESCOc1c(F)cccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C)C2.COc1c(F)cccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C)n2C1CCCCO1.COc1c(F)cccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.COc1c(N)cccc1F.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C24H27FN4O3.C20H20FN3O2.C19H20ClFN4O2.C12H13Cl2N3O.C7H8FNO.C4H7NO/c1-14-26-22-19(28-18-7-5-6-17(25)23(18)31-2)12-16(13-20(30)15-9-10-15)27-24(22)29(14)21-8-3-4-11-32-21;1-11-8-16-19(22-11)17(9-13(23-16)10-18(25)12-6-7-12)24-15-5-3-4-14(21)20(15)26-2;1-11-22-17-14(23-13-7-5-6-12(21)18(13)26-2)10-15(20)24-19(17)25(11)16-8-3-4-9-27-16;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-10-7-5(8)3-2-4-6(7)9;5-4(6)3-1-2-3/h5-7,12,15,21H,3-4,8-11,13H2,1-2H3,(H,27,28);3-5,9,12H,6-8,10H2,1-2H3,(H,23,24);5-7,10,16H,3-4,8-9H2,1-2H3,(H,23,24);6,10H,2-5H2,1H3;2-4H,9H2,1H3;3H,1-2H2,(H2,5,6)
InChIKeyIDPOKCWLHHPDTL-UHFFFAOYSA-N
MW1695.16 g/mol
LogP19.02
Rot. Bonds20

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

5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline (PubChem CID 158668119) has the molecular formula C86H95Cl3F4N16O10 and a molecular weight of 1695.16 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline
PubChem CID158668119
Molecular FormulaC86H95Cl3F4N16O10
Molecular Weight1695.16 g/mol
Exact Mass1692.64
IUPAC Name5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline
SMILESCOc1c(F)cccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C)C2.COc1c(F)cccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C)n2C1CCCCO1.COc1c(F)cccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.COc1c(N)cccc1F.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
InChIInChI=1S/C24H27FN4O3.C20H20FN3O2.C19H20ClFN4O2.C12H13Cl2N3O.C7H8FNO.C4H7NO/c1-14-26-22-19(28-18-7-5-6-17(25)23(18)31-2)12-16(13-20(30)15-9-10-15)27-24(22)29(14)21-8-3-4-11-32-21;1-11-8-16-19(22-11)17(9-13(23-16)10-18(25)12-6-7-12)24-15-5-3-4-14(21)20(15)26-2;1-11-22-17-14(23-13-7-5-6-12(21)18(13)26-2)10-15(20)24-19(17)25(11)16-8-3-4-9-27-16;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-10-7-5(8)3-2-4-6(7)9;5-4(6)3-1-2-3/h5-7,12,15,21H,3-4,8-11,13H2,1-2H3,(H,27,28);3-5,9,12H,6-8,10H2,1-2H3,(H,23,24);5-7,10,16H,3-4,8-9H2,1-2H3,(H,23,24);6,10H,2-5H2,1H3;2-4H,9H2,1H3;3H,1-2H2,(H2,5,6)
InChIKeyIDPOKCWLHHPDTL-UHFFFAOYSA-N
XLogP19.02
TPSA321.33 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.16
LogP ≤ 519.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline (CID 158668119) is 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline is COc1c(F)cccc1Nc1cc(CC(=O)C2CC2)nc2c1N=C(C)C2.COc1c(F)cccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C)n2C1CCCCO1.COc1c(F)cccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.COc1c(N)cccc1F.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.
What is the InChIKey of 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline?
The InChIKey is IDPOKCWLHHPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3.C20H20FN3O2.C19H20ClFN4O2.C12H13Cl2N3O.C7H8FNO.C4H7NO/c1-14-26-22-19(28-18-7-5-6-17(25)23(18)31-2)12-16(13-20(30)15-9-10-15)27-24(22)29(14)21-8-3-4-11-32-21;1-11-8-16-19(22-11)17(9-13(23-16)10-18(25)12-6-7-12)24-15-5-3-4-14(21)20(15)26-2;1-11-22-17-14(23-13-7-5-6-12(21)18(13)26-2)10-15(20)24-19(17)25(11)16-8-3-4-9-27-16;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-10-7-5(8)3-2-4-6(7)9;5-4(6)3-1-2-3/h5-7,12,15,21H,3-4,8-11,13H2,1-2H3,(H,27,28);3-5,9,12H,6-8,10H2,1-2H3,(H,23,24);5-7,10,16H,3-4,8-9H2,1-2H3,(H,23,24);6,10H,2-5H2,1H3;2-4H,9H2,1H3;3H,1-2H2,(H2,5,6).
What are the key properties of 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline?
5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline has a molecular weight of 1695.16 g/mol, XLogP of 19.02, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[7-(3-fluoro-2-methoxyanilino)-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-fluoro-2-methoxyaniline is sourced from PubChem (CID 158668119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).