N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide

C199H211F5N48O11 — CID 167651382

IUPACN-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1nc(-c2ccc(C(=O)NC3CC(O)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)C)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)O)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(F)(F)CO)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC3CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C3=NCC(C)(C)O3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H30N6O.C25H26N6O2.C25H28N6O2.2C25H26N6O.C25H28N6O.C24H23F3N6O.C24H24F2N6O2/c1-26(2,3)15-27-25(33)18-9-7-17(8-10-18)24-29-22(32(4)31-24)13-19-11-12-21-20(14-28-30-21)23(19)16-5-6-16;1-31-22(10-17-8-9-21-20(13-26-29-21)23(17)14-2-3-14)28-24(30-31)15-4-6-16(7-5-15)25(33)27-18-11-19(32)12-18;1-25(2,33)14-26-24(32)17-8-6-16(7-9-17)23-28-21(31(3)30-23)12-18-10-11-20-19(13-27-29-20)22(18)15-4-5-15;1-25(2)14-26-24(32-25)17-8-6-16(7-9-17)23-28-21(31(3)30-23)12-18-10-11-20-19(13-27-29-20)22(18)15-4-5-15;1-31-22(12-19-10-11-21-20(14-27-29-21)23(19)16-4-5-16)28-24(30-31)17-6-8-18(9-7-17)25(32)26-13-15-2-3-15;1-4-15(2)27-25(32)18-9-7-17(8-10-18)24-28-22(31(3)30-24)13-19-11-12-21-20(14-26-29-21)23(19)16-5-6-16;1-33-20(12-17-8-9-19-18(13-29-31-19)21(17)14-2-3-14)30-22(32-33)15-4-6-16(7-5-15)23(34)28-11-10-24(25,26)27;1-32-20(10-17-8-9-19-18(11-28-30-19)21(17)14-2-3-14)29-22(31-32)15-4-6-16(7-5-15)23(34)27-12-24(25,26)13-33/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,27,33)(H,28,30);4-9,13-14,18-19,32H,2-3,10-12H2,1H3,(H,26,29)(H,27,33);6-11,13,15,33H,4-5,12,14H2,1-3H3,(H,26,32)(H,27,29);6-11,13,15H,4-5,12,14H2,1-3H3,(H,27,29);6-11,14-16H,2-5,12-13H2,1H3,(H,26,32)(H,27,29);7-12,14-16H,4-6,13H2,1-3H3,(H,26,29)(H,27,32);4-9,13-14H,2-3,10-12H2,1H3,(H,28,34)(H,29,31);4-9,11,14,33H,2-3,10,12-13H2,1H3,(H,27,34)(H,28,30)
InChIKeyQQASPNINGOGFSL-UHFFFAOYSA-N
MW3546.19 g/mol
LogP31.41
Rot. Bonds53

About N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide

N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 167651382) has the molecular formula C199H211F5N48O11 and a molecular weight of 3546.19 g/mol. Its IUPAC name is N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID167651382
Molecular FormulaC199H211F5N48O11
Molecular Weight3546.19 g/mol
Exact Mass3543.73
IUPAC NameN-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1nc(-c2ccc(C(=O)NC3CC(O)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)C)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)O)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(F)(F)CO)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC3CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C3=NCC(C)(C)O3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H30N6O.C25H26N6O2.C25H28N6O2.2C25H26N6O.C25H28N6O.C24H23F3N6O.C24H24F2N6O2/c1-26(2,3)15-27-25(33)18-9-7-17(8-10-18)24-29-22(32(4)31-24)13-19-11-12-21-20(14-28-30-21)23(19)16-5-6-16;1-31-22(10-17-8-9-21-20(13-26-29-21)23(17)14-2-3-14)28-24(30-31)15-4-6-16(7-5-15)25(33)27-18-11-19(32)12-18;1-25(2,33)14-26-24(32)17-8-6-16(7-9-17)23-28-21(31(3)30-23)12-18-10-11-20-19(13-27-29-20)22(18)15-4-5-15;1-25(2)14-26-24(32-25)17-8-6-16(7-9-17)23-28-21(31(3)30-23)12-18-10-11-20-19(13-27-29-20)22(18)15-4-5-15;1-31-22(12-19-10-11-21-20(14-27-29-21)23(19)16-4-5-16)28-24(30-31)17-6-8-18(9-7-17)25(32)26-13-15-2-3-15;1-4-15(2)27-25(32)18-9-7-17(8-10-18)24-28-22(31(3)30-24)13-19-11-12-21-20(14-26-29-21)23(19)16-5-6-16;1-33-20(12-17-8-9-19-18(13-29-31-19)21(17)14-2-3-14)30-22(32-33)15-4-6-16(7-5-15)23(34)28-11-10-24(25,26)27;1-32-20(10-17-8-9-19-18(11-28-30-19)21(17)14-2-3-14)29-22(31-32)15-4-6-16(7-5-15)23(34)27-12-24(25,26)13-33/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,27,33)(H,28,30);4-9,13-14,18-19,32H,2-3,10-12H2,1H3,(H,26,29)(H,27,33);6-11,13,15,33H,4-5,12,14H2,1-3H3,(H,26,32)(H,27,29);6-11,13,15H,4-5,12,14H2,1-3H3,(H,27,29);6-11,14-16H,2-5,12-13H2,1H3,(H,26,32)(H,27,29);7-12,14-16H,4-6,13H2,1-3H3,(H,26,29)(H,27,32);4-9,13-14H,2-3,10-12H2,1H3,(H,28,34)(H,29,31);4-9,11,14,33H,2-3,10,12-13H2,1H3,(H,27,34)(H,28,30)
InChIKeyQQASPNINGOGFSL-UHFFFAOYSA-N
XLogP31.41
TPSA761.10 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003546.19
LogP ≤ 531.41
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Analyze N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide (CID 167651382) is N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide is CCC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1nc(-c2ccc(C(=O)NC3CC(O)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)C)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)O)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(F)(F)CO)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC3CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C3=NCC(C)(C)O3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is QQASPNINGOGFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C25H26N6O2.C25H28N6O2.2C25H26N6O.C25H28N6O.C24H23F3N6O.C24H24F2N6O2/c1-26(2,3)15-27-25(33)18-9-7-17(8-10-18)24-29-22(32(4)31-24)13-19-11-12-21-20(14-28-30-21)23(19)16-5-6-16;1-31-22(10-17-8-9-21-20(13-26-29-21)23(17)14-2-3-14)28-24(30-31)15-4-6-16(7-5-15)25(33)27-18-11-19(32)12-18;1-25(2,33)14-26-24(32)17-8-6-16(7-9-17)23-28-21(31(3)30-23)12-18-10-11-20-19(13-27-29-20)22(18)15-4-5-15;1-25(2)14-26-24(32-25)17-8-6-16(7-9-17)23-28-21(31(3)30-23)12-18-10-11-20-19(13-27-29-20)22(18)15-4-5-15;1-31-22(12-19-10-11-21-20(14-27-29-21)23(19)16-4-5-16)28-24(30-31)17-6-8-18(9-7-17)25(32)26-13-15-2-3-15;1-4-15(2)27-25(32)18-9-7-17(8-10-18)24-28-22(31(3)30-24)13-19-11-12-21-20(14-26-29-21)23(19)16-5-6-16;1-33-20(12-17-8-9-19-18(13-29-31-19)21(17)14-2-3-14)30-22(32-33)15-4-6-16(7-5-15)23(34)28-11-10-24(25,26)27;1-32-20(10-17-8-9-19-18(11-28-30-19)21(17)14-2-3-14)29-22(31-32)15-4-6-16(7-5-15)23(34)27-12-24(25,26)13-33/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,27,33)(H,28,30);4-9,13-14,18-19,32H,2-3,10-12H2,1H3,(H,26,29)(H,27,33);6-11,13,15,33H,4-5,12,14H2,1-3H3,(H,26,32)(H,27,29);6-11,13,15H,4-5,12,14H2,1-3H3,(H,27,29);6-11,14-16H,2-5,12-13H2,1H3,(H,26,32)(H,27,29);7-12,14-16H,4-6,13H2,1-3H3,(H,26,29)(H,27,32);4-9,13-14H,2-3,10-12H2,1H3,(H,28,34)(H,29,31);4-9,11,14,33H,2-3,10,12-13H2,1H3,(H,27,34)(H,28,30).
What are the key properties of N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide?
N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 3546.19 g/mol, XLogP of 31.41, 53 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 167651382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).