4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C121H134N32O13 — CID 158687047

About 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 158687047) has the molecular formula C121H134N32O13 and a molecular weight of 2244.61 g/mol. Its IUPAC name is 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
• PubChem CID: 158687047
• Molecular Formula: C121H134N32O13
• Molecular Weight: 2244.61 g/mol
• Exact Mass: 2243.08
• IUPAC Name: 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
• SMILES: COCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC3CCCO3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC3CCCO3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3cccnc3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3ccncc3)c(C)c12
• InChI: InChI=1S/2C25H25N7O2.2C24H28N6O3.C23H28N6O3/c1-15-3-4-18(24(33)30-19-5-6-19)11-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-17-7-9-26-10-8-17;1-15-5-6-18(24(33)30-19-7-8-19)10-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-17-4-3-9-26-11-17;2*1-14-5-6-16(23(31)28-17-7-8-17)10-20(14)29-22-21-15(2)19(12-30(21)27-13-26-22)24(32)25-11-18-4-3-9-33-18;1-14-5-6-16(22(30)27-17-7-8-17)11-19(14)28-21-20-15(2)18(12-29(20)26-13-25-21)23(31)24-9-4-10-32-3/h3-4,7-11,13-14,19H,5-6,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);2*5-6,10,12-13,17-18H,3-4,7-9,11H2,1-2H3,(H,25,32)(H,28,31)(H,26,27,29);5-6,11-13,17H,4,7-10H2,1-3H3,(H,24,31)(H,27,30)(H,25,26,28)
• InChIKey: IFWJCRHWMGTOME-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 555.57 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.61
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

The IUPAC name of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 158687047) is 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

What is the SMILES notation for 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

The canonical SMILES for 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is COCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC3CCCO3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC3CCCO3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3cccnc3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3ccncc3)c(C)c12.

What is the InChIKey of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

The InChIKey is IFWJCRHWMGTOME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25N7O2.2C24H28N6O3.C23H28N6O3/c1-15-3-4-18(24(33)30-19-5-6-19)11-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-17-7-9-26-10-8-17;1-15-5-6-18(24(33)30-19-7-8-19)10-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-17-4-3-9-26-11-17;2*1-14-5-6-16(23(31)28-17-7-8-17)10-20(14)29-22-21-15(2)19(12-30(21)27-13-26-22)24(32)25-11-18-4-3-9-33-18;1-14-5-6-16(22(30)27-17-7-8-17)11-19(14)28-21-20-15(2)18(12-29(20)26-13-25-21)23(31)24-9-4-10-32-3/h3-4,7-11,13-14,19H,5-6,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);2*5-6,10,12-13,17-18H,3-4,7-9,11H2,1-2H3,(H,25,32)(H,28,31)(H,26,27,29);5-6,11-13,17H,4,7-10H2,1-3H3,(H,24,31)(H,27,30)(H,25,26,28).

What are the key properties of 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?

4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 2244.61 g/mol, XLogP of 15.14, 37 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(3-methoxypropyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;bis(4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide);4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 158687047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).