[cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate

C91H88N22O18 — CID 158765499

About [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate

[cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate (PubChem CID 158765499) has the molecular formula C91H88N22O18 and a molecular weight of 1777.84 g/mol. Its IUPAC name is [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate
• PubChem CID: 158765499
• Molecular Formula: C91H88N22O18
• Molecular Weight: 1777.84 g/mol
• Exact Mass: 1776.66
• IUPAC Name: [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate
• SMILES: CCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N(C(=O)OCOC(=O)c4cccnc4)C4CC4)c(C)c23)c1.Cc1ccc(C(=O)NC2=NCC=C2)cc1Nc1ncnn2cc(C(=O)N(C(=O)OCOC(=O)c3cccnc3)C3CC3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)N(C(=O)OCOC(=O)c3cccnc3)C3CC3)c(C)c12
• InChI: InChI=1S/C31H28N8O6.C30H29N7O6.C30H31N7O6/c1-18-7-8-20(28(40)37-25-6-4-12-33-25)13-24(18)36-27-26-19(2)23(15-38(26)35-16-34-27)29(41)39(22-9-10-22)31(43)45-17-44-30(42)21-5-3-11-32-14-21;1-17-5-6-19(27(38)34-21-7-8-21)12-24(17)35-26-25-18(2)23(14-36(25)33-15-32-26)28(39)37(22-9-10-22)30(41)43-16-42-29(40)20-4-3-11-31-13-20;1-4-11-32-27(38)20-8-7-18(2)24(13-20)35-26-25-19(3)23(15-36(25)34-16-33-26)28(39)37(22-9-10-22)30(41)43-17-42-29(40)21-6-5-12-31-14-21/h3-8,11,13-16,22H,9-10,12,17H2,1-2H3,(H,33,37,40)(H,34,35,36);3-6,11-15,21-22H,7-10,16H2,1-2H3,(H,34,38)(H,32,33,35);5-8,12-16,22H,4,9-11,17H2,1-3H3,(H,32,38)(H,33,34,35)
• InChIKey: IPEYYPDABWQVFA-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 483.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1777.84
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate?

The IUPAC name of [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate (CID 158765499) is [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate.

What is the SMILES notation for [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate?

The canonical SMILES for [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate is CCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N(C(=O)OCOC(=O)c4cccnc4)C4CC4)c(C)c23)c1.Cc1ccc(C(=O)NC2=NCC=C2)cc1Nc1ncnn2cc(C(=O)N(C(=O)OCOC(=O)c3cccnc3)C3CC3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)N(C(=O)OCOC(=O)c3cccnc3)C3CC3)c(C)c12.

What is the InChIKey of [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate?

The InChIKey is IPEYYPDABWQVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8O6.C30H29N7O6.C30H31N7O6/c1-18-7-8-20(28(40)37-25-6-4-12-33-25)13-24(18)36-27-26-19(2)23(15-38(26)35-16-34-27)29(41)39(22-9-10-22)31(43)45-17-44-30(42)21-5-3-11-32-14-21;1-17-5-6-19(27(38)34-21-7-8-21)12-24(17)35-26-25-18(2)23(14-36(25)33-15-32-26)28(39)37(22-9-10-22)30(41)43-16-42-29(40)20-4-3-11-31-13-20;1-4-11-32-27(38)20-8-7-18(2)24(13-20)35-26-25-19(3)23(15-36(25)34-16-33-26)28(39)37(22-9-10-22)30(41)43-17-42-29(40)21-6-5-12-31-14-21/h3-8,11,13-16,22H,9-10,12,17H2,1-2H3,(H,33,37,40)(H,34,35,36);3-6,11-15,21-22H,7-10,16H2,1-2H3,(H,34,38)(H,32,33,35);5-8,12-16,22H,4,9-11,17H2,1-3H3,(H,32,38)(H,33,34,35).

What are the key properties of [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate?

[cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate has a molecular weight of 1777.84 g/mol, XLogP of 11.85, 27 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [cyclopropyl-[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate;[cyclopropyl-[5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl pyridine-3-carboxylate is sourced from PubChem (CID 158765499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).