1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea

C108H112Cl5F6N37O13 — CID 167669762

About 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea

1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea (PubChem CID 167669762) has the molecular formula C108H112Cl5F6N37O13 and a molecular weight of 2427.58 g/mol. Its IUPAC name is 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea
• PubChem CID: 167669762
• Molecular Formula: C108H112Cl5F6N37O13
• Molecular Weight: 2427.58 g/mol
• Exact Mass: 2423.76
• IUPAC Name: 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea
• SMILES: CNC(=O)Nc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1N(C)CC(=O)CN(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)N[C@@H](C)C(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)N[C@H](C)C(F)(F)F
• InChI: InChI=1S/C23H27ClN8O2.2C22H21ClF3N7O3.C22H24ClN7O3.C19H19ClN8O2/c1-30(2)12-15(33)13-31(3)19-9-6-14(10-20(19)34-5)22-27-23(32(4)29-22)26-18-8-7-17-16(21(18)24)11-25-28-17;2*1-11(22(24,25)26)28-18(34)10-36-16-7-4-12(8-17(16)35-3)20-30-21(33(2)32-20)29-15-6-5-14-13(19(15)23)9-27-31-14;1-12(2)25-19(31)11-33-17-8-5-13(9-18(17)32-4)21-27-22(30(3)29-21)26-16-7-6-15-14(20(16)23)10-24-28-15;1-21-19(29)24-13-5-4-10(8-15(13)30-3)17-25-18(28(2)27-17)23-14-7-6-12-11(16(14)20)9-22-26-12/h6-11H,12-13H2,1-5H3,(H,25,28)(H,26,27,29);2*4-9,11H,10H2,1-3H3,(H,27,31)(H,28,34)(H,29,30,32);5-10,12H,11H2,1-4H3,(H,24,28)(H,25,31)(H,26,27,29);4-9H,1-3H3,(H,22,26)(H2,21,24,29)(H,23,25,27)/t;2*11-;;/m.10../s1
• InChIKey: TXTGDBMSKQZJCW-NNCIHBKISA-N
• XLogP: 18.93
• TPSA: 582.92 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2427.58
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea?

The IUPAC name of 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea (CID 167669762) is 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea.

What is the SMILES notation for 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea?

The canonical SMILES for 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1N(C)CC(=O)CN(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)N[C@@H](C)C(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)N[C@H](C)C(F)(F)F.

What is the InChIKey of 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea?

The InChIKey is TXTGDBMSKQZJCW-NNCIHBKISA-N. The full InChI is InChI=1S/C23H27ClN8O2.2C22H21ClF3N7O3.C22H24ClN7O3.C19H19ClN8O2/c1-30(2)12-15(33)13-31(3)19-9-6-14(10-20(19)34-5)22-27-23(32(4)29-22)26-18-8-7-17-16(21(18)24)11-25-28-17;2*1-11(22(24,25)26)28-18(34)10-36-16-7-4-12(8-17(16)35-3)20-30-21(33(2)32-20)29-15-6-5-14-13(19(15)23)9-27-31-14;1-12(2)25-19(31)11-33-17-8-5-13(9-18(17)32-4)21-27-22(30(3)29-21)26-16-7-6-15-14(20(16)23)10-24-28-15;1-21-19(29)24-13-5-4-10(8-15(13)30-3)17-25-18(28(2)27-17)23-14-7-6-12-11(16(14)20)9-22-26-12/h6-11H,12-13H2,1-5H3,(H,25,28)(H,26,27,29);2*4-9,11H,10H2,1-3H3,(H,27,31)(H,28,34)(H,29,30,32);5-10,12H,11H2,1-4H3,(H,24,28)(H,25,31)(H,26,27,29);4-9H,1-3H3,(H,22,26)(H2,21,24,29)(H,23,25,27)/t;2*11-;;/m.10../s1.

What are the key properties of 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea?

1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea has a molecular weight of 2427.58 g/mol, XLogP of 18.93, 38 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-methylanilino]-3-(dimethylamino)propan-2-one;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide;1-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylurea is sourced from PubChem (CID 167669762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).