4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

C134H151F9N34O11 — CID 167656125

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 167656125) has the molecular formula C134H151F9N34O11 and a molecular weight of 2584.89 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
• PubChem CID: 167656125
• Molecular Formula: C134H151F9N34O11
• Molecular Weight: 2584.89 g/mol
• Exact Mass: 2583.22
• IUPAC Name: 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
• SMILES: CC(O)Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CNCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3)n(CCN3CCCCC3)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3)n(CCN3CCOCC3)n2)ccc1OCC(=O)NC(C)C.O=C(NCC(F)(F)F)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C3CCNCC3)n2)cc1
• InChI: InChI=1S/C29H37N7O3.C28H35N7O4.C27H28F3N7O.C25H26F3N7O.C25H25F3N6O2/c1-20(2)31-28(37)19-39-25-10-8-22(17-26(25)38-3)29-32-27(16-21-7-9-24-23(15-21)18-30-33-24)36(34-29)14-13-35-11-5-4-6-12-35;1-19(2)30-27(36)18-39-24-7-5-21(16-25(24)37-3)28-31-26(15-20-4-6-23-22(14-20)17-29-32-23)35(33-28)9-8-34-10-12-38-13-11-34;28-27(29,30)15-32-26(38)18-5-3-17(4-6-18)25-34-23(37(36-25)20-9-11-31-12-10-20)13-19-7-8-22-21(14-33-35-22)24(19)16-1-2-16;1-29-10-11-35-21(12-18-8-9-20-19(13-31-33-20)22(18)15-2-3-15)32-23(34-35)16-4-6-17(7-5-16)24(36)30-14-25(26,27)28;1-14(35)12-34-21(10-18-8-9-20-19(11-30-32-20)22(18)15-2-3-15)31-23(33-34)16-4-6-17(7-5-16)24(36)29-13-25(26,27)28/h7-10,15,17-18,20H,4-6,11-14,16,19H2,1-3H3,(H,30,33)(H,31,37);4-7,14,16-17,19H,8-13,15,18H2,1-3H3,(H,29,32)(H,30,36);3-8,14,16,20,31H,1-2,9-13,15H2,(H,32,38)(H,33,35);4-9,13,15,29H,2-3,10-12,14H2,1H3,(H,30,36)(H,31,33);4-9,11,14-15,35H,2-3,10,12-13H2,1H3,(H,29,36)(H,30,32)
• InChIKey: RGZACZFMWQTAIS-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 539.37 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.89
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?

The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (CID 167656125) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.

What is the SMILES notation for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?

The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is CC(O)Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CNCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3)n(CCN3CCCCC3)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3)n(CCN3CCOCC3)n2)ccc1OCC(=O)NC(C)C.O=C(NCC(F)(F)F)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C3CCNCC3)n2)cc1.

What is the InChIKey of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?

The InChIKey is RGZACZFMWQTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O3.C28H35N7O4.C27H28F3N7O.C25H26F3N7O.C25H25F3N6O2/c1-20(2)31-28(37)19-39-25-10-8-22(17-26(25)38-3)29-32-27(16-21-7-9-24-23(15-21)18-30-33-24)36(34-29)14-13-35-11-5-4-6-12-35;1-19(2)30-27(36)18-39-24-7-5-21(16-25(24)37-3)28-31-26(15-20-4-6-23-22(14-20)17-29-32-23)35(33-28)9-8-34-10-12-38-13-11-34;28-27(29,30)15-32-26(38)18-5-3-17(4-6-18)25-34-23(37(36-25)20-9-11-31-12-10-20)13-19-7-8-22-21(14-33-35-22)24(19)16-1-2-16;1-29-10-11-35-21(12-18-8-9-20-19(13-31-33-20)22(18)15-2-3-15)32-23(34-35)16-4-6-17(7-5-16)24(36)30-14-25(26,27)28;1-14(35)12-34-21(10-18-8-9-20-19(11-30-32-20)22(18)15-2-3-15)31-23(33-34)16-4-6-17(7-5-16)24(36)29-13-25(26,27)28/h7-10,15,17-18,20H,4-6,11-14,16,19H2,1-3H3,(H,30,33)(H,31,37);4-7,14,16-17,19H,8-13,15,18H2,1-3H3,(H,29,32)(H,30,36);3-8,14,16,20,31H,1-2,9-13,15H2,(H,32,38)(H,33,35);4-9,13,15,29H,2-3,10-12,14H2,1H3,(H,30,36)(H,31,33);4-9,11,14-15,35H,2-3,10,12-13H2,1H3,(H,29,36)(H,30,32).

What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 2584.89 g/mol, XLogP of 18.74, 46 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-hydroxypropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-piperidin-4-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 167656125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).