(2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

C25H23F2N5O7 — CID 69328584

IUPAC(2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)O)cn32)no1.NCc1ccc(F)cc1F
InChIInChI=1S/C18H16N4O7.C7H7F2N/c1-10-5-11(19-29-10)6-21-9-20(7-12-3-2-4-28-12)17(25)14-16(24)15(23)13(18(26)27)8-22(14)21;8-6-2-1-5(4-10)7(9)3-6/h2-5,8,24H,6-7,9H2,1H3,(H,26,27);1-3H,4,10H2
InChIKeyIETBLHXKPYTISR-UHFFFAOYSA-N
MW543.48 g/mol
LogP2.32
Rot. Bonds6

About (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid

(2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 69328584) has the molecular formula C25H23F2N5O7 and a molecular weight of 543.48 g/mol. Its IUPAC name is (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name(2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID69328584
Molecular FormulaC25H23F2N5O7
Molecular Weight543.48 g/mol
Exact Mass543.16
IUPAC Name(2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)O)cn32)no1.NCc1ccc(F)cc1F
InChIInChI=1S/C18H16N4O7.C7H7F2N/c1-10-5-11(19-29-10)6-21-9-20(7-12-3-2-4-28-12)17(25)14-16(24)15(23)13(18(26)27)8-22(14)21;8-6-2-1-5(4-10)7(9)3-6/h2-5,8,24H,6-7,9H2,1H3,(H,26,27);1-3H,4,10H2
InChIKeyIETBLHXKPYTISR-UHFFFAOYSA-N
XLogP2.32
TPSA168.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 69328584) is (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is Cc1cc(CN2CN(Cc3ccco3)C(=O)c3c(O)c(=O)c(C(=O)O)cn32)no1.NCc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is IETBLHXKPYTISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O7.C7H7F2N/c1-10-5-11(19-29-10)6-21-9-20(7-12-3-2-4-28-12)17(25)14-16(24)15(23)13(18(26)27)8-22(14)21;8-6-2-1-5(4-10)7(9)3-6/h2-5,8,24H,6-7,9H2,1H3,(H,26,27);1-3H,4,10H2.
What are the key properties of (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid?
(2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 543.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 69328584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).