N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

C20H19FN6O2 — CID 118961986

IUPACN-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCOc1cc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)ccc1F
InChIInChI=1S/C20H19FN6O2/c1-26-17-6-4-13(7-15(17)10-22-26)9-20(28)24-19-11-23-27(25-19)12-14-3-5-16(21)18(8-14)29-2/h3-8,10-11H,9,12H2,1-2H3,(H,24,25,28)
InChIKeyDHVCRZRNVQSVCX-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.54
Rot. Bonds6

About N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (PubChem CID 118961986) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
PubChem CID118961986
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC NameN-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCOc1cc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)ccc1F
InChIInChI=1S/C20H19FN6O2/c1-26-17-6-4-13(7-15(17)10-22-26)9-20(28)24-19-11-23-27(25-19)12-14-3-5-16(21)18(8-14)29-2/h3-8,10-11H,9,12H2,1-2H3,(H,24,25,28)
InChIKeyDHVCRZRNVQSVCX-UHFFFAOYSA-N
XLogP2.54
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The IUPAC name of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (CID 118961986) is N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is COc1cc(Cn2ncc(NC(=O)Cc3ccc4c(cnn4C)c3)n2)ccc1F.
What is the InChIKey of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The InChIKey is DHVCRZRNVQSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-26-17-6-4-13(7-15(17)10-22-26)9-20(28)24-19-11-23-27(25-19)12-14-3-5-16(21)18(8-14)29-2/h3-8,10-11H,9,12H2,1-2H3,(H,24,25,28).
What are the key properties of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide has a molecular weight of 394.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 118961986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).