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

C27H26FN7O2 — CID 169238056

IUPAC6-(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
SMILESCOc1cccc(-c2cn3nc(-c4nccn4C)nc(NC4CC(OC)C4)c3c2-c2ccccn2)c1F
InChIInChI=1S/C27H26FN7O2/c1-34-12-11-30-27(34)26-32-25(31-16-13-17(14-16)36-2)24-22(20-8-4-5-10-29-20)19(15-35(24)33-26)18-7-6-9-21(37-3)23(18)28/h4-12,15-17H,13-14H2,1-3H3,(H,31,32,33)
InChIKeyVYCRCXGINJADLH-UHFFFAOYSA-N
MW499.55 g/mol
LogP4.60
Rot. Bonds7

About 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

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 (PubChem CID 169238056) has the molecular formula C27H26FN7O2 and a molecular weight of 499.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID169238056
Molecular FormulaC27H26FN7O2
Molecular Weight499.55 g/mol
Exact Mass499.21
IUPAC Name6-(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
SMILESCOc1cccc(-c2cn3nc(-c4nccn4C)nc(NC4CC(OC)C4)c3c2-c2ccccn2)c1F
InChIInChI=1S/C27H26FN7O2/c1-34-12-11-30-27(34)26-32-25(31-16-13-17(14-16)36-2)24-22(20-8-4-5-10-29-20)19(15-35(24)33-26)18-7-6-9-21(37-3)23(18)28/h4-12,15-17H,13-14H2,1-3H3,(H,31,32,33)
InChIKeyVYCRCXGINJADLH-UHFFFAOYSA-N
XLogP4.60
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
6-(2-fluoro-3-methoxyphenyl)-N-[(1R,3R)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 164601244
6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 175943436
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
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 163747575
N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585263
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169237618
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
2-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]pyridine
CID 167984117

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2cn3nc(-c4nccn4C)nc(NC4CC(OC)C4)c3c2-c2ccccn2)c1F.
What is the InChIKey of 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?
The InChIKey is VYCRCXGINJADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O2/c1-34-12-11-30-27(34)26-32-25(31-16-13-17(14-16)36-2)24-22(20-8-4-5-10-29-20)19(15-35(24)33-26)18-7-6-9-21(37-3)23(18)28/h4-12,15-17H,13-14H2,1-3H3,(H,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 499.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169238056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).