N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

C21H19FN6O4 — CID 68703933

IUPACN-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1nn(-c2ccc(F)c(NC(C)=O)c2)c(=O)n(Cc2ccc3cnn(C)c3c2)c1=O
InChIInChI=1S/C21H19FN6O4/c1-12(29)24-17-9-15(6-7-16(17)22)28-21(31)27(20(30)19(25-28)32-3)11-13-4-5-14-10-23-26(2)18(14)8-13/h4-10H,11H2,1-3H3,(H,24,29)
InChIKeyJMUVXYUYISQSSP-UHFFFAOYSA-N
MW438.42 g/mol
LogP1.44
Rot. Bonds5

About N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 68703933) has the molecular formula C21H19FN6O4 and a molecular weight of 438.42 g/mol. Its IUPAC name is N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID68703933
Molecular FormulaC21H19FN6O4
Molecular Weight438.42 g/mol
Exact Mass438.15
IUPAC NameN-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCOc1nn(-c2ccc(F)c(NC(C)=O)c2)c(=O)n(Cc2ccc3cnn(C)c3c2)c1=O
InChIInChI=1S/C21H19FN6O4/c1-12(29)24-17-9-15(6-7-16(17)22)28-21(31)27(20(30)19(25-28)32-3)11-13-4-5-14-10-23-26(2)18(14)8-13/h4-10H,11H2,1-3H3,(H,24,29)
InChIKeyJMUVXYUYISQSSP-UHFFFAOYSA-N
XLogP1.44
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (CID 68703933) is N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is COc1nn(-c2ccc(F)c(NC(C)=O)c2)c(=O)n(Cc2ccc3cnn(C)c3c2)c1=O.
What is the InChIKey of N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is JMUVXYUYISQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O4/c1-12(29)24-17-9-15(6-7-16(17)22)28-21(31)27(20(30)19(25-28)32-3)11-13-4-5-14-10-23-26(2)18(14)8-13/h4-10H,11H2,1-3H3,(H,24,29).
What are the key properties of N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 438.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[6-methoxy-4-[(1-methylindazol-6-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 68703933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).