4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide

C198H204F6N50O14 — CID 161047345

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.COC(=O)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.COC(=O)[C@@H](NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(C)C.COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cc1c(Cc2nc(-c3ccc(C(=O)N[C@H]4C[C@@H]4F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Cc2nc(-c3ccc(C(=O)Nc4cnn(C)c4)cc3)nn2C)ccc2[nH]ncc12.Cn1nc(-c2ccc(C(=O)NC3CCC(F)(F)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C28H32N6O3.C27H30N6O3.C26H26F2N6O.C24H23F3N6O.C24H24N6O3.C24H26N6O.C23H22N8O.C22H21FN6O/c1-16(2)13-23(28(36)37-4)30-27(35)19-9-7-18(8-10-19)26-31-24(34(3)33-26)14-20-11-12-22-21(15-29-32-22)25(20)17-5-6-17;1-15(2)24(27(35)36-4)30-26(34)18-9-7-17(8-10-18)25-29-22(33(3)32-25)13-19-11-12-21-20(14-28-31-21)23(19)16-5-6-16;1-34-22(12-18-8-9-21-20(14-29-32-21)23(18)15-2-3-15)31-24(33-34)16-4-6-17(7-5-16)25(35)30-19-10-11-26(27,28)13-19;1-13(24(25,26)27)29-23(34)16-7-5-15(6-8-16)22-30-20(33(2)32-22)11-17-9-10-19-18(12-28-31-19)21(17)14-3-4-14;1-30-20(11-17-9-10-19-18(12-26-28-19)22(17)14-3-4-14)27-23(29-30)15-5-7-16(8-6-15)24(32)25-13-21(31)33-2;1-14(2)26-24(31)17-8-6-16(7-9-17)23-27-21(30(3)29-23)12-18-10-11-20-19(13-25-28-20)22(18)15-4-5-15;1-14-17(8-9-20-19(14)12-24-28-20)10-21-27-22(29-31(21)3)15-4-6-16(7-5-15)23(32)26-18-11-25-30(2)13-18;1-12-15(7-8-18-16(12)11-24-27-18)9-20-26-21(28-29(20)2)13-3-5-14(6-4-13)22(30)25-19-10-17(19)23/h7-12,15-17,23H,5-6,13-14H2,1-4H3,(H,29,32)(H,30,35);7-12,14-16,24H,5-6,13H2,1-4H3,(H,28,31)(H,30,34);4-9,14-15,19H,2-3,10-13H2,1H3,(H,29,32)(H,30,35);5-10,12-14H,3-4,11H2,1-2H3,(H,28,31)(H,29,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,32)(H,26,28);6-11,13-15H,4-5,12H2,1-3H3,(H,25,28)(H,26,31);4-9,11-13H,10H2,1-3H3,(H,24,28)(H,26,32);3-8,11,17,19H,9-10H2,1-2H3,(H,24,27)(H,25,30)/t23-;24-;;;;;;17-,19-/m00.....0/s1
InChIKeyUBRBBNMPVLUJRJ-NYQMZMNWSA-N
MW3622.13 g/mol
LogP30.18
Rot. Bonds52

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 161047345) has the molecular formula C198H204F6N50O14 and a molecular weight of 3622.13 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID161047345
Molecular FormulaC198H204F6N50O14
Molecular Weight3622.13 g/mol
Exact Mass3619.67
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.COC(=O)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.COC(=O)[C@@H](NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(C)C.COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cc1c(Cc2nc(-c3ccc(C(=O)N[C@H]4C[C@@H]4F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Cc2nc(-c3ccc(C(=O)Nc4cnn(C)c4)cc3)nn2C)ccc2[nH]ncc12.Cn1nc(-c2ccc(C(=O)NC3CCC(F)(F)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C28H32N6O3.C27H30N6O3.C26H26F2N6O.C24H23F3N6O.C24H24N6O3.C24H26N6O.C23H22N8O.C22H21FN6O/c1-16(2)13-23(28(36)37-4)30-27(35)19-9-7-18(8-10-19)26-31-24(34(3)33-26)14-20-11-12-22-21(15-29-32-22)25(20)17-5-6-17;1-15(2)24(27(35)36-4)30-26(34)18-9-7-17(8-10-18)25-29-22(33(3)32-25)13-19-11-12-21-20(14-28-31-21)23(19)16-5-6-16;1-34-22(12-18-8-9-21-20(14-29-32-21)23(18)15-2-3-15)31-24(33-34)16-4-6-17(7-5-16)25(35)30-19-10-11-26(27,28)13-19;1-13(24(25,26)27)29-23(34)16-7-5-15(6-8-16)22-30-20(33(2)32-22)11-17-9-10-19-18(12-28-31-19)21(17)14-3-4-14;1-30-20(11-17-9-10-19-18(12-26-28-19)22(17)14-3-4-14)27-23(29-30)15-5-7-16(8-6-15)24(32)25-13-21(31)33-2;1-14(2)26-24(31)17-8-6-16(7-9-17)23-27-21(30(3)29-23)12-18-10-11-20-19(13-25-28-20)22(18)15-4-5-15;1-14-17(8-9-20-19(14)12-24-28-20)10-21-27-22(29-31(21)3)15-4-6-16(7-5-15)23(32)26-18-11-25-30(2)13-18;1-12-15(7-8-18-16(12)11-24-27-18)9-20-26-21(28-29(20)2)13-3-5-14(6-4-13)22(30)25-19-10-17(19)23/h7-12,15-17,23H,5-6,13-14H2,1-4H3,(H,29,32)(H,30,35);7-12,14-16,24H,5-6,13H2,1-4H3,(H,28,31)(H,30,34);4-9,14-15,19H,2-3,10-13H2,1H3,(H,29,32)(H,30,35);5-10,12-14H,3-4,11H2,1-2H3,(H,28,31)(H,29,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,32)(H,26,28);6-11,13-15H,4-5,12H2,1-3H3,(H,25,28)(H,26,31);4-9,11-13H,10H2,1-3H3,(H,24,28)(H,26,32);3-8,11,17,19H,9-10H2,1-2H3,(H,24,27)(H,25,30)/t23-;24-;;;;;;17-,19-/m00.....0/s1
InChIKeyUBRBBNMPVLUJRJ-NYQMZMNWSA-N
XLogP30.18
TPSA804.64 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds52
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003622.13
LogP ≤ 530.18
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide (CID 161047345) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide is CC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.COC(=O)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.COC(=O)[C@@H](NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(C)C.COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cc1c(Cc2nc(-c3ccc(C(=O)N[C@H]4C[C@@H]4F)cc3)nn2C)ccc2[nH]ncc12.Cc1c(Cc2nc(-c3ccc(C(=O)Nc4cnn(C)c4)cc3)nn2C)ccc2[nH]ncc12.Cn1nc(-c2ccc(C(=O)NC3CCC(F)(F)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is UBRBBNMPVLUJRJ-NYQMZMNWSA-N. The full InChI is InChI=1S/C28H32N6O3.C27H30N6O3.C26H26F2N6O.C24H23F3N6O.C24H24N6O3.C24H26N6O.C23H22N8O.C22H21FN6O/c1-16(2)13-23(28(36)37-4)30-27(35)19-9-7-18(8-10-19)26-31-24(34(3)33-26)14-20-11-12-22-21(15-29-32-22)25(20)17-5-6-17;1-15(2)24(27(35)36-4)30-26(34)18-9-7-17(8-10-18)25-29-22(33(3)32-25)13-19-11-12-21-20(14-28-31-21)23(19)16-5-6-16;1-34-22(12-18-8-9-21-20(14-29-32-21)23(18)15-2-3-15)31-24(33-34)16-4-6-17(7-5-16)25(35)30-19-10-11-26(27,28)13-19;1-13(24(25,26)27)29-23(34)16-7-5-15(6-8-16)22-30-20(33(2)32-22)11-17-9-10-19-18(12-28-31-19)21(17)14-3-4-14;1-30-20(11-17-9-10-19-18(12-26-28-19)22(17)14-3-4-14)27-23(29-30)15-5-7-16(8-6-15)24(32)25-13-21(31)33-2;1-14(2)26-24(31)17-8-6-16(7-9-17)23-27-21(30(3)29-23)12-18-10-11-20-19(13-25-28-20)22(18)15-4-5-15;1-14-17(8-9-20-19(14)12-24-28-20)10-21-27-22(29-31(21)3)15-4-6-16(7-5-15)23(32)26-18-11-25-30(2)13-18;1-12-15(7-8-18-16(12)11-24-27-18)9-20-26-21(28-29(20)2)13-3-5-14(6-4-13)22(30)25-19-10-17(19)23/h7-12,15-17,23H,5-6,13-14H2,1-4H3,(H,29,32)(H,30,35);7-12,14-16,24H,5-6,13H2,1-4H3,(H,28,31)(H,30,34);4-9,14-15,19H,2-3,10-13H2,1H3,(H,29,32)(H,30,35);5-10,12-14H,3-4,11H2,1-2H3,(H,28,31)(H,29,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,32)(H,26,28);6-11,13-15H,4-5,12H2,1-3H3,(H,25,28)(H,26,31);4-9,11-13H,10H2,1-3H3,(H,24,28)(H,26,32);3-8,11,17,19H,9-10H2,1-2H3,(H,24,27)(H,25,30)/t23-;24-;;;;;;17-,19-/m00.....0/s1.
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 3622.13 g/mol, XLogP of 30.18, 52 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3-difluorocyclopentyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;N-[(1S,2S)-2-fluorocyclopropyl]-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-3-methylbutanoate;methyl (2S)-2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]-4-methylpentanoate;4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 161047345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).