6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H21N7O — CID 175943436

IUPAC6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC1CC(c2cn3nc(-c4nccn4C)nc(N)c3c2-c2ccccn2)C1
InChIInChI=1S/C20H21N7O/c1-26-8-7-23-20(26)19-24-18(21)17-16(15-5-3-4-6-22-15)14(11-27(17)25-19)12-9-13(10-12)28-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,24,25)
InChIKeyASBPBOQZVFFODR-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.67
Rot. Bonds4

About 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 175943436) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID175943436
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC1CC(c2cn3nc(-c4nccn4C)nc(N)c3c2-c2ccccn2)C1
InChIInChI=1S/C20H21N7O/c1-26-8-7-23-20(26)19-24-18(21)17-16(15-5-3-4-6-22-15)14(11-27(17)25-19)12-9-13(10-12)28-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,24,25)
InChIKeyASBPBOQZVFFODR-UHFFFAOYSA-N
XLogP2.67
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-fluoro-3-methoxyphenyl)-N-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238056
5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169237598
5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
CID 176718570
5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 176718574
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238024
dichloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine)
CID 23534671
6-(2-chloro-3-methoxyphenyl)-N-cyclobutyl-2-(1-methylimidazol-2-yl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 169237432
(Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide
CID 169238060
4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine
CID 169237590
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169237778
4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane
CID 169238010
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride
CID 157205084

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 175943436) is 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is COC1CC(c2cn3nc(-c4nccn4C)nc(N)c3c2-c2ccccn2)C1.
What is the InChIKey of 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ASBPBOQZVFFODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-26-8-7-23-20(26)19-24-18(21)17-16(15-5-3-4-6-22-15)14(11-27(17)25-19)12-9-13(10-12)28-2/h3-8,11-13H,9-10H2,1-2H3,(H2,21,24,25).
What are the key properties of 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 375.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 175943436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).