6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C22H21N9O2 — CID 169238087

IUPAC6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2cn3nc(-c4nccn4C)nc(Nc4cc(OC)ncn4)c3c2C)cn1
InChIInChI=1S/C22H21N9O2/c1-13-15(14-5-6-17(32-3)24-10-14)11-31-19(13)20(27-16-9-18(33-4)26-12-25-16)28-21(29-31)22-23-7-8-30(22)2/h5-12H,1-4H3,(H,25,26,27,28,29)
InChIKeyWCJCFTXRDLNEDP-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.05
Rot. Bonds6

About 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169238087) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID169238087
Molecular FormulaC22H21N9O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2cn3nc(-c4nccn4C)nc(Nc4cc(OC)ncn4)c3c2C)cn1
InChIInChI=1S/C22H21N9O2/c1-13-15(14-5-6-17(32-3)24-10-14)11-31-19(13)20(27-16-9-18(33-4)26-12-25-16)28-21(29-31)22-23-7-8-30(22)2/h5-12H,1-4H3,(H,25,26,27,28,29)
InChIKeyWCJCFTXRDLNEDP-UHFFFAOYSA-N
XLogP3.05
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

E-2212
CID 46854987
Ksq-4279
CID 150782011
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CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386768
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411874
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 138712432
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

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 169238087) is 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1ccc(-c2cn3nc(-c4nccn4C)nc(Nc4cc(OC)ncn4)c3c2C)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is WCJCFTXRDLNEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2/c1-13-15(14-5-6-17(32-3)24-10-14)11-31-19(13)20(27-16-9-18(33-4)26-12-25-16)28-21(29-31)22-23-7-8-30(22)2/h5-12H,1-4H3,(H,25,26,27,28,29).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 443.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169238087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).