N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C89H98Cl2N30O9 — CID 167637943

About N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 167637943) has the molecular formula C89H98Cl2N30O9 and a molecular weight of 1802.87 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
• PubChem CID: 167637943
• Molecular Formula: C89H98Cl2N30O9
• Molecular Weight: 1802.87 g/mol
• Exact Mass: 1800.75
• IUPAC Name: N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)N1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc2C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1OCC(=O)NC1CNC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1CNC(C)=O
• InChI: InChI=1S/C23H25ClN8O.C23H26N8O3.C23H27N7O3.C20H20ClN7O2/c1-13(2)26-23(33)32-9-8-14-10-15(4-5-16(14)12-32)21-28-22(31(3)30-21)27-19-7-6-18-17(20(19)24)11-25-29-18;1-13-16-11-25-29-18(16)6-5-17(13)27-23-28-22(30-31(23)2)14-4-7-19(20(8-14)33-3)34-12-21(32)26-15-9-24-10-15;1-13(2)25-21(31)12-33-19-9-6-15(10-20(19)32-5)22-27-23(30(4)29-22)26-17-7-8-18-16(14(17)3)11-24-28-18;1-11(29)22-9-13-5-4-12(8-17(13)30-3)19-25-20(28(2)27-19)24-16-7-6-15-14(18(16)21)10-23-26-15/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,29)(H,26,33)(H,27,28,30);4-8,11,15,24H,9-10,12H2,1-3H3,(H,25,29)(H,26,32)(H,27,28,30);6-11,13H,12H2,1-5H3,(H,24,28)(H,25,31)(H,26,27,29);4-8,10H,9H2,1-3H3,(H,22,29)(H,23,26)(H,24,25,27)
• InChIKey: OTAIIZLODKDAEY-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 463.50 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1802.87
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The IUPAC name of N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 167637943) is N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

What is the SMILES notation for N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The canonical SMILES for N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)N1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc2C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1OCC(=O)NC1CNC1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1CNC(C)=O.

What is the InChIKey of N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The InChIKey is OTAIIZLODKDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O.C23H26N8O3.C23H27N7O3.C20H20ClN7O2/c1-13(2)26-23(33)32-9-8-14-10-15(4-5-16(14)12-32)21-28-22(31(3)30-21)27-19-7-6-18-17(20(19)24)11-25-29-18;1-13-16-11-25-29-18(16)6-5-17(13)27-23-28-22(30-31(23)2)14-4-7-19(20(8-14)33-3)34-12-21(32)26-15-9-24-10-15;1-13(2)25-21(31)12-33-19-9-6-15(10-20(19)32-5)22-27-23(30(4)29-22)26-17-7-8-18-16(14(17)3)11-24-28-18;1-11(29)22-9-13-5-4-12(8-17(13)30-3)19-25-20(28(2)27-19)24-16-7-6-15-14(18(16)21)10-23-26-15/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,29)(H,26,33)(H,27,28,30);4-8,11,15,24H,9-10,12H2,1-3H3,(H,25,29)(H,26,32)(H,27,28,30);6-11,13H,12H2,1-5H3,(H,24,28)(H,25,31)(H,26,27,29);4-8,10H,9H2,1-3H3,(H,22,29)(H,23,26)(H,24,25,27).

What are the key properties of N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 1802.87 g/mol, XLogP of 12.84, 26 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 167637943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).