N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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

C179H184F18N44O13 — CID 159522851

IUPACN-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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
SMILESCC(O)Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CNCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NC3CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.O=C(NCC(F)(F)F)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C3CCNCC3)n2)cc1
InChIInChI=1S/C27H28F3N7O.C26H27F3N6O3.C26H28N6O2.C25H26F3N7O.3C25H25F3N6O2/c28-27(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;1-37-10-9-35-22(12-16-6-8-20-19(13-31-33-20)23(16)15-3-4-15)32-24(34-35)17-5-7-18(21(11-17)38-2)25(36)30-14-26(27,28)29;1-34-13-12-32-23(14-19-8-11-22-21(15-27-30-22)24(19)16-2-3-16)29-25(31-32)17-4-6-18(7-5-17)26(33)28-20-9-10-20;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;1-36-11-10-34-21(12-18-8-9-20-19(13-30-32-20)22(18)15-2-3-15)31-23(33-34)16-4-6-17(7-5-16)24(35)29-14-25(26,27)28;1-3-34-21(11-15-7-9-19-18(12-30-32-19)22(15)14-4-5-14)31-23(33-34)16-6-8-17(20(10-16)36-2)24(35)29-13-25(26,27)28/h3-8,14,16,20,31H,1-2,9-13,15H2,(H,32,38)(H,33,35);5-8,11,13,15H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33);4-8,11,15-16,20H,2-3,9-10,12-14H2,1H3,(H,27,30)(H,28,33);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);4-9,13,15H,2-3,10-12,14H2,1H3,(H,29,35)(H,30,32);6-10,12,14H,3-5,11,13H2,1-2H3,(H,29,35)(H,30,32)
InChIKeyMCAIKWHPPAQXAO-UHFFFAOYSA-N
MW3501.70 g/mol
LogP29.17
Rot. Bonds60

About N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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

N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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 (PubChem CID 159522851) has the molecular formula C179H184F18N44O13 and a molecular weight of 3501.70 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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
PubChem CID159522851
Molecular FormulaC179H184F18N44O13
Molecular Weight3501.70 g/mol
Exact Mass3499.48
IUPAC NameN-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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
SMILESCC(O)Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CNCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NC3CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.O=C(NCC(F)(F)F)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C3CCNCC3)n2)cc1
InChIInChI=1S/C27H28F3N7O.C26H27F3N6O3.C26H28N6O2.C25H26F3N7O.3C25H25F3N6O2/c28-27(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;1-37-10-9-35-22(12-16-6-8-20-19(13-31-33-20)23(16)15-3-4-15)32-24(34-35)17-5-7-18(21(11-17)38-2)25(36)30-14-26(27,28)29;1-34-13-12-32-23(14-19-8-11-22-21(15-27-30-22)24(19)16-2-3-16)29-25(31-32)17-4-6-18(7-5-17)26(33)28-20-9-10-20;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;1-36-11-10-34-21(12-18-8-9-20-19(13-30-32-20)22(18)15-2-3-15)31-23(33-34)16-4-6-17(7-5-16)24(35)29-14-25(26,27)28;1-3-34-21(11-15-7-9-19-18(12-30-32-19)22(15)14-4-5-14)31-23(33-34)16-6-8-17(20(10-16)36-2)24(35)29-13-25(26,27)28/h3-8,14,16,20,31H,1-2,9-13,15H2,(H,32,38)(H,33,35);5-8,11,13,15H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33);4-8,11,15-16,20H,2-3,9-10,12-14H2,1H3,(H,27,30)(H,28,33);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);4-9,13,15H,2-3,10-12,14H2,1H3,(H,29,35)(H,30,32);6-10,12,14H,3-5,11,13H2,1-2H3,(H,29,35)(H,30,32)
InChIKeyMCAIKWHPPAQXAO-UHFFFAOYSA-N
XLogP29.17
TPSA709.87 Ų
H-Bond Donors17
H-Bond Acceptors43
Rotatable Bonds60
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003501.70
LogP ≤ 529.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1043

Analyze N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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?
The IUPAC name of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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 (CID 159522851) is N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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.
What is the SMILES notation for N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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?
The canonical SMILES for N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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 is CC(O)Cn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.CNCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NC3CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.O=C(NCC(F)(F)F)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C3CCNCC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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?
The InChIKey is MCAIKWHPPAQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O.C26H27F3N6O3.C26H28N6O2.C25H26F3N7O.3C25H25F3N6O2/c28-27(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;1-37-10-9-35-22(12-16-6-8-20-19(13-31-33-20)23(16)15-3-4-15)32-24(34-35)17-5-7-18(21(11-17)38-2)25(36)30-14-26(27,28)29;1-34-13-12-32-23(14-19-8-11-22-21(15-27-30-22)24(19)16-2-3-16)29-25(31-32)17-4-6-18(7-5-17)26(33)28-20-9-10-20;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;1-36-11-10-34-21(12-18-8-9-20-19(13-30-32-20)22(18)15-2-3-15)31-23(33-34)16-4-6-17(7-5-16)24(35)29-14-25(26,27)28;1-3-34-21(11-15-7-9-19-18(12-30-32-19)22(15)14-4-5-14)31-23(33-34)16-6-8-17(20(10-16)36-2)24(35)29-13-25(26,27)28/h3-8,14,16,20,31H,1-2,9-13,15H2,(H,32,38)(H,33,35);5-8,11,13,15H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33);4-8,11,15-16,20H,2-3,9-10,12-14H2,1H3,(H,27,30)(H,28,33);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);4-9,13,15H,2-3,10-12,14H2,1H3,(H,29,35)(H,30,32);6-10,12,14H,3-5,11,13H2,1-2H3,(H,29,35)(H,30,32).
What are the key properties of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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?
N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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 has a molecular weight of 3501.70 g/mol, XLogP of 29.17, 60 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;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-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-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 is sourced from PubChem (CID 159522851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).