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

C98H100Cl3F11N28O10 — CID 159955073

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

5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 159955073) has the molecular formula C98H100Cl3F11N28O10 and a molecular weight of 2145.40 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
• PubChem CID: 159955073
• Molecular Formula: C98H100Cl3F11N28O10
• Molecular Weight: 2145.40 g/mol
• Exact Mass: 2142.71
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]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(F)F)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3C[C@@H]3F)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C27H28F3N7O3.C23H21F3N6O2.C22H22ClF2N7O2.C12H11Cl2F2N3O.C10H12N4O.C4H6FNO/c1-36-13-31-25(35-36)15-6-5-7-18(23(15)39-2)33-19-10-14(11-20(38)16-12-17(16)28)32-26-22(19)34-27(24(29)30)37(26)21-8-3-4-9-40-21;1-32-10-27-23(31-32)12-4-3-5-15(21(12)34-2)29-16-6-11(7-19(33)13-8-14(13)24)28-17-9-18(22(25)26)30-20(16)17;1-31-11-26-20(30-31)12-6-5-7-13(18(12)33-2)27-14-10-15(23)28-21-17(14)29-22(19(24)25)32(21)16-8-3-4-9-34-16;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;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/h5-7,10,13,16-17,21,24H,3-4,8-9,11-12H2,1-2H3,(H,32,33);3-6,10,13-14,22H,7-9H2,1-2H3,(H,28,29);5-7,10-11,16,19H,3-4,8-9H2,1-2H3,(H,27,28);5,8,10H,1-4H2;3-6H,11H2,1-2H3;2-3H,1H2,(H2,6,7)/t16?,17-,21?;13?,14-;;;;2-,3+/m00...1/s1
• InChIKey: OCPPBTKWMDGTMQ-MQRCCEBGSA-N
• XLogP: 19.62
• TPSA: 444.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2145.40
LogP ≤ 5	19.62
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-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (CID 159955073) is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

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

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]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(F)F)C3)cccc1-c1ncn(C)n1.COc1c(Nc2cc(CC(=O)C3C[C@@H]3F)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)[C@@H]1C[C@@H]1F.

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

The InChIKey is OCPPBTKWMDGTMQ-MQRCCEBGSA-N. The full InChI is InChI=1S/C27H28F3N7O3.C23H21F3N6O2.C22H22ClF2N7O2.C12H11Cl2F2N3O.C10H12N4O.C4H6FNO/c1-36-13-31-25(35-36)15-6-5-7-18(23(15)39-2)33-19-10-14(11-20(38)16-12-17(16)28)32-26-22(19)34-27(24(29)30)37(26)21-8-3-4-9-40-21;1-32-10-27-23(31-32)12-4-3-5-15(21(12)34-2)29-16-6-11(7-19(33)13-8-14(13)24)28-17-9-18(22(25)26)30-20(16)17;1-31-11-26-20(30-31)12-6-5-7-13(18(12)33-2)27-14-10-15(23)28-21-17(14)29-22(19(24)25)32(21)16-8-3-4-9-34-16;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;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/h5-7,10,13,16-17,21,24H,3-4,8-9,11-12H2,1-2H3,(H,32,33);3-6,10,13-14,22H,7-9H2,1-2H3,(H,28,29);5-7,10-11,16,19H,3-4,8-9H2,1-2H3,(H,27,28);5,8,10H,1-4H2;3-6H,11H2,1-2H3;2-3H,1H2,(H2,6,7)/t16?,17-,21?;13?,14-;;;;2-,3+/m00...1/s1.

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

5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 2145.40 g/mol, XLogP of 19.62, 28 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]-1-[(2S)-2-fluorocyclopropyl]ethanone;2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 159955073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).