2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide

C69H72Cl3F3N22O8 — CID 167669657

About 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide

2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide (PubChem CID 167669657) has the molecular formula C69H72Cl3F3N22O8 and a molecular weight of 1500.83 g/mol. Its IUPAC name is 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide
• PubChem CID: 167669657
• Molecular Formula: C69H72Cl3F3N22O8
• Molecular Weight: 1500.83 g/mol
• Exact Mass: 1498.49
• IUPAC Name: 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide
• SMILES: CC(C)NC(=O)CN1CCCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc21.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)C(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NCC1(O)CC1
• InChI: InChI=1S/C24H27ClN8O.C23H24ClN7O4.C22H21ClF3N7O3/c1-14(2)27-21(34)13-33-10-4-5-15-11-16(6-9-20(15)33)23-29-24(32(3)31-23)28-19-8-7-18-17(22(19)25)12-26-30-18;1-31-22(27-16-5-4-15-14(20(16)24)10-26-29-15)28-21(30-31)13-3-6-17(18(9-13)34-2)35-11-19(32)25-12-23(33)7-8-23;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/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,26,30)(H,27,34)(H,28,29,31);3-6,9-10,33H,7-8,11-12H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,27,31)(H,28,34)(H,29,30,32)
• InChIKey: TXKNEUZEPJIAHN-UHFFFAOYSA-N
• XLogP: 11.03
• TPSA: 361.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1500.83
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide?

The IUPAC name of 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide (CID 167669657) is 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide.

What is the SMILES notation for 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide?

The canonical SMILES for 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide is CC(C)NC(=O)CN1CCCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc21.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)C(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NCC1(O)CC1.

What is the InChIKey of 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide?

The InChIKey is TXKNEUZEPJIAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O.C23H24ClN7O4.C22H21ClF3N7O3/c1-14(2)27-21(34)13-33-10-4-5-15-11-16(6-9-20(15)33)23-29-24(32(3)31-23)28-19-8-7-18-17(22(19)25)12-26-30-18;1-31-22(27-16-5-4-15-14(20(16)24)10-26-29-15)28-21(30-31)13-3-6-17(18(9-13)34-2)35-11-19(32)25-12-23(33)7-8-23;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/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,26,30)(H,27,34)(H,28,29,31);3-6,9-10,33H,7-8,11-12H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,27,31)(H,28,34)(H,29,30,32).

What are the key properties of 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide?

2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide has a molecular weight of 1500.83 g/mol, XLogP of 11.03, 23 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-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-[(1-hydroxycyclopropyl)methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide is sourced from PubChem (CID 167669657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).