N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide

C24H23F2N5O5 — CID 54686525

IUPACN-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCOCCN1CN(Cc2ccccn2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H23F2N5O5/c1-36-9-8-29-14-30(12-17-4-2-3-7-27-17)31-13-18(21(32)22(33)20(31)24(29)35)23(34)28-11-15-5-6-16(25)10-19(15)26/h2-7,10,13,33H,8-9,11-12,14H2,1H3,(H,28,34)
InChIKeyLJWLTXAXGYAGQK-UHFFFAOYSA-N
MW499.47 g/mol
LogP1.36
Rot. Bonds8

About N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide

N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide (PubChem CID 54686525) has the molecular formula C24H23F2N5O5 and a molecular weight of 499.47 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
PubChem CID54686525
Molecular FormulaC24H23F2N5O5
Molecular Weight499.47 g/mol
Exact Mass499.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCOCCN1CN(Cc2ccccn2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H23F2N5O5/c1-36-9-8-29-14-30(12-17-4-2-3-7-27-17)31-13-18(21(32)22(33)20(31)24(29)35)23(34)28-11-15-5-6-16(25)10-19(15)26/h2-7,10,13,33H,8-9,11-12,14H2,1H3,(H,28,34)
InChIKeyLJWLTXAXGYAGQK-UHFFFAOYSA-N
XLogP1.36
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide (CID 54686525) is N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide is COCCN1CN(Cc2ccccn2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
The InChIKey is LJWLTXAXGYAGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O5/c1-36-9-8-29-14-30(12-17-4-2-3-7-27-17)31-13-18(21(32)22(33)20(31)24(29)35)23(34)28-11-15-5-6-16(25)10-19(15)26/h2-7,10,13,33H,8-9,11-12,14H2,1H3,(H,28,34).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide has a molecular weight of 499.47 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-1-(pyridin-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 54686525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).