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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Related Compounds

US10246426, Example 6
CID 118962193
3-[2-(1H-indol-5-yl)ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 122177980
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide
CID 118537122
3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
CID 118537130
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
CID 118537135
US10246426, Example 117
CID 118961979
US10246426, Example 210
CID 118961992
US10246426, Example 77
CID 118961993
US10246426, Example 82
CID 118961994
US10246426, Example 56
CID 118962006
US10246426, Example 118
CID 118962011
US10246426, Example 30
CID 118962026

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).