carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C78H80F6N9O19- — CID 162031405

About carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 162031405) has the molecular formula C78H80F6N9O19- and a molecular weight of 1561.53 g/mol. Its IUPAC name is carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

• Compound Name: carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
• PubChem CID: 162031405
• Molecular Formula: C78H80F6N9O19-
• Molecular Weight: 1561.53 g/mol
• Exact Mass: 1560.55
• IUPAC Name: carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
• SMILES: COCCN1CN(C(=O)COC)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(O)c2C1=O.COCCN1CN(C(=O)COC)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O.COCCN1CNn2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O.[CH3-]
• InChI: InChI=1S/C29H29F2N3O7.C26H25F2N3O5.C22H23F2N3O7.CH3/c1-39-13-12-32-18-34(25(36)17-40-2)33-15-22(24(35)11-9-20-8-10-21(30)14-23(20)31)27(37)28(26(33)29(32)38)41-16-19-6-4-3-5-7-19;1-35-12-11-30-16-29-31-14-20(22(32)10-8-18-7-9-19(27)13-21(18)28)24(33)25(23(31)26(30)34)36-15-17-5-3-2-4-6-17;1-33-8-7-25-12-27(18(29)11-34-2)26-10-15(20(30)21(31)19(26)22(25)32)17(28)6-4-13-3-5-14(23)9-16(13)24;/h3-8,10,14-15H,9,11-13,16-18H2,1-2H3;2-7,9,13-14,29H,8,10-12,15-16H2,1H3;3,5,9-10,31H,4,6-8,11-12H2,1-2H3;1H3/q;;;-1
• InChIKey: YWBMKCQBWMIWGD-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 315.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.53
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

The IUPAC name of carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 162031405) is carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

What is the SMILES notation for carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

The canonical SMILES for carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is COCCN1CN(C(=O)COC)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(O)c2C1=O.COCCN1CN(C(=O)COC)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O.COCCN1CNn2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O.[CH3-].

What is the InChIKey of carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

The InChIKey is YWBMKCQBWMIWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O7.C26H25F2N3O5.C22H23F2N3O7.CH3/c1-39-13-12-32-18-34(25(36)17-40-2)33-15-22(24(35)11-9-20-8-10-21(30)14-23(20)31)27(37)28(26(33)29(32)38)41-16-19-6-4-3-5-7-19;1-35-12-11-30-16-29-31-14-20(22(32)10-8-18-7-9-19(27)13-21(18)28)24(33)25(23(31)26(30)34)36-15-17-5-3-2-4-6-17;1-33-8-7-25-12-27(18(29)11-34-2)26-10-15(20(30)21(31)19(26)22(25)32)17(28)6-4-13-3-5-14(23)9-16(13)24;/h3-8,10,14-15H,9,11-13,16-18H2,1-2H3;2-7,9,13-14,29H,8,10-12,15-16H2,1H3;3,5,9-10,31H,4,6-8,11-12H2,1-2H3;1H3/q;;;-1.

What are the key properties of carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?

carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 1561.53 g/mol, XLogP of 7.08, 31 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-1-(2-methoxyacetyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 162031405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).