tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

C122H125ClF4N30O18 — CID 158330402

About tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 158330402) has the molecular formula C122H125ClF4N30O18 and a molecular weight of 2410.98 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
• PubChem CID: 158330402
• Molecular Formula: C122H125ClF4N30O18
• Molecular Weight: 2410.98 g/mol
• Exact Mass: 2408.94
• IUPAC Name: tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCOC[C@H]1CO.CCOC(=O)c1cn2nc[nH]c(=O)c2c1C.CCOC(=O)c1cn2ncnc(Cl)c2c1C.CCOC(=O)c1cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1C.Cc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.Cc1c(NC(=O)OC[C@@H]2COCCN2C(=O)OC(C)(C)C)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.Nc1ccc2c(cnn2Cc2cccc(F)c2)c1
• InChI: InChI=1S/C32H35FN8O5.C24H21FN6O2.C22H17FN6O2.C14H12FN3.C10H10ClN3O2.C10H11N3O3.C10H19NO4/c1-20-26(38-30(42)45-18-25-17-44-11-10-39(25)31(43)46-32(2,3)4)16-41-28(20)29(34-19-36-41)37-24-8-9-27-22(13-24)14-35-40(27)15-21-6-5-7-23(33)12-21;1-3-33-24(32)20-13-31-22(15(20)2)23(26-14-28-31)29-19-7-8-21-17(10-19)11-27-30(21)12-16-5-4-6-18(25)9-16;1-13-18(22(30)31)11-29-20(13)21(24-12-26-29)27-17-5-6-19-15(8-17)9-25-28(19)10-14-3-2-4-16(23)7-14;15-12-3-1-2-10(6-12)9-18-14-5-4-13(16)7-11(14)8-17-18;1-3-16-10(15)7-4-14-8(6(7)2)9(11)12-5-13-14;1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13;1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h5-9,12-14,16,19,25H,10-11,15,17-18H2,1-4H3,(H,38,42)(H,34,36,37);4-11,13-14H,3,12H2,1-2H3,(H,26,28,29);2-9,11-12H,10H2,1H3,(H,30,31)(H,24,26,27);1-8H,9,16H2;4-5H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,11,12,14);8,12H,4-7H2,1-3H3/t25-;;;;;;8-/m0.....1/s1
• InChIKey: GPXXBGKFKAQDSV-PKSMPMMPSA-N
• XLogP: 19.81
• TPSA: 556.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.98
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?

The IUPAC name of tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 158330402) is tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

What is the SMILES notation for tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?

The canonical SMILES for tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is CC(C)(C)OC(=O)N1CCOC[C@H]1CO.CCOC(=O)c1cn2nc[nH]c(=O)c2c1C.CCOC(=O)c1cn2ncnc(Cl)c2c1C.CCOC(=O)c1cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1C.Cc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.Cc1c(NC(=O)OC[C@@H]2COCCN2C(=O)OC(C)(C)C)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.Nc1ccc2c(cnn2Cc2cccc(F)c2)c1.

What is the InChIKey of tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?

The InChIKey is GPXXBGKFKAQDSV-PKSMPMMPSA-N. The full InChI is InChI=1S/C32H35FN8O5.C24H21FN6O2.C22H17FN6O2.C14H12FN3.C10H10ClN3O2.C10H11N3O3.C10H19NO4/c1-20-26(38-30(42)45-18-25-17-44-11-10-39(25)31(43)46-32(2,3)4)16-41-28(20)29(34-19-36-41)37-24-8-9-27-22(13-24)14-35-40(27)15-21-6-5-7-23(33)12-21;1-3-33-24(32)20-13-31-22(15(20)2)23(26-14-28-31)29-19-7-8-21-17(10-19)11-27-30(21)12-16-5-4-6-18(25)9-16;1-13-18(22(30)31)11-29-20(13)21(24-12-26-29)27-17-5-6-19-15(8-17)9-25-28(19)10-14-3-2-4-16(23)7-14;15-12-3-1-2-10(6-12)9-18-14-5-4-13(16)7-11(14)8-17-18;1-3-16-10(15)7-4-14-8(6(7)2)9(11)12-5-13-14;1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13;1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h5-9,12-14,16,19,25H,10-11,15,17-18H2,1-4H3,(H,38,42)(H,34,36,37);4-11,13-14H,3,12H2,1-2H3,(H,26,28,29);2-9,11-12H,10H2,1H3,(H,30,31)(H,24,26,27);1-8H,9,16H2;4-5H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,11,12,14);8,12H,4-7H2,1-3H3/t25-;;;;;;8-/m0.....1/s1.

What are the key properties of tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?

tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 2410.98 g/mol, XLogP of 19.81, 25 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 158330402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).