5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

C98H108Cl3F3N28O10 — CID 159484261

About 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 159484261) has the molecular formula C98H108Cl3F3N28O10 and a molecular weight of 2001.48 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

• Compound Name: 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
• PubChem CID: 159484261
• Molecular Formula: C98H108Cl3F3N28O10
• Molecular Weight: 2001.48 g/mol
• Exact Mass: 1998.78
• IUPAC Name: 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
• SMILES: COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3C[C@@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3C[C@@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1C[C@@H]1F
• InChI: InChI=1S/C27H30FN7O3.C23H23FN6O2.C22H24ClN7O2.C12H13Cl2N3O.C10H12N4O.C4H6FNO/c1-15-30-24-21(32-20-8-6-7-17(25(20)37-3)26-29-14-34(2)33-26)11-16(12-22(36)18-13-19(18)28)31-27(24)35(15)23-9-4-5-10-38-23;1-12-7-18-21(26-12)19(8-13(27-18)9-20(31)15-10-16(15)24)28-17-6-4-5-14(22(17)32-3)23-25-11-30(2)29-23;1-13-25-19-16(11-17(23)27-22(19)30(13)18-9-4-5-10-32-18)26-15-8-6-7-14(20(15)31-3)21-24-12-29(2)28-21;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;5-3-1-2(3)4(6)7/h6-8,11,14,18-19,23H,4-5,9-10,12-13H2,1-3H3,(H,31,32);4-6,8,11,15-16H,7,9-10H2,1-3H3,(H,27,28);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H,26,27);6,10H,2-5H2,1H3;3-6H,11H2,1-2H3;2-3H,1H2,(H2,6,7)/t18?,19-,23?;15?,16-;;;;2?,3-/m00...0/s1
• InChIKey: LXJRHSAVNPXLSN-ZJPPZHJRSA-N
• XLogP: 17.49
• TPSA: 444.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2001.48
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

The IUPAC name of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (CID 159484261) is 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

The canonical SMILES for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is COc1c(N)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3C[C@@H]3F)nc3c2N=C(C)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3C[C@@H]3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1C[C@@H]1F.

What is the InChIKey of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

The InChIKey is LXJRHSAVNPXLSN-ZJPPZHJRSA-N. The full InChI is InChI=1S/C27H30FN7O3.C23H23FN6O2.C22H24ClN7O2.C12H13Cl2N3O.C10H12N4O.C4H6FNO/c1-15-30-24-21(32-20-8-6-7-17(25(20)37-3)26-29-14-34(2)33-26)11-16(12-22(36)18-13-19(18)28)31-27(24)35(15)23-9-4-5-10-38-23;1-12-7-18-21(26-12)19(8-13(27-18)9-20(31)15-10-16(15)24)28-17-6-4-5-14(22(17)32-3)23-25-11-30(2)29-23;1-13-25-19-16(11-17(23)27-22(19)30(13)18-9-4-5-10-32-18)26-15-8-6-7-14(20(15)31-3)21-24-12-29(2)28-21;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2;5-3-1-2(3)4(6)7/h6-8,11,14,18-19,23H,4-5,9-10,12-13H2,1-3H3,(H,31,32);4-6,8,11,15-16H,7,9-10H2,1-3H3,(H,27,28);6-8,11-12,18H,4-5,9-10H2,1-3H3,(H,26,27);6,10H,2-5H2,1H3;3-6H,11H2,1-2H3;2-3H,1H2,(H2,6,7)/t18?,19-,23?;15?,16-;;;;2?,3-/m00...0/s1.

What are the key properties of 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 2001.48 g/mol, XLogP of 17.49, 24 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;(2S)-2-fluorocyclopropane-1-carboxamide;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-[(2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 159484261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).