2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine

C20H16N6O — CID 118488437

IUPAC2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)nc2ncccn12
InChIInChI=1S/C20H16N6O/c1-13-11-15(27-19-17-5-3-10-26(17)23-12-22-19)6-7-16(13)18-14(2)24-20-21-8-4-9-25(18)20/h3-12H,1-2H3
InChIKeyHTJMSQNBHKUFKZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.85
Rot. Bonds3

About 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine

2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 118488437) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID118488437
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)nc2ncccn12
InChIInChI=1S/C20H16N6O/c1-13-11-15(27-19-17-5-3-10-26(17)23-12-22-19)6-7-16(13)18-14(2)24-20-21-8-4-9-25(18)20/h3-12H,1-2H3
InChIKeyHTJMSQNBHKUFKZ-UHFFFAOYSA-N
XLogP3.85
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Mak-683
CID 121412508
E-2212
CID 46854987
Unii-XX8E5WP7FS
CID 118009787
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Methyl substituted pyrazole, 27
CID 23648674
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Methyl substituted pyrazole, 28
CID 23648676
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386768
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine (CID 118488437) is 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine is Cc1cc(Oc2ncnn3cccc23)ccc1-c1c(C)nc2ncccn12.
What is the InChIKey of 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is HTJMSQNBHKUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-13-11-15(27-19-17-5-3-10-26(17)23-12-22-19)6-7-16(13)18-14(2)24-20-21-8-4-9-25(18)20/h3-12H,1-2H3.
What are the key properties of 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine?
2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 356.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-4-pyrrolo[2,1-f][1,2,4]triazin-4-yloxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118488437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).