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

C21H23N7O — CID 169238024

IUPACN-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC1CC(Nc2nc(-c3nccn3C)nn3cc(-c4cccnc4)c(C)c23)C1
InChIInChI=1S/C21H23N7O/c1-13-17(14-5-4-6-22-11-14)12-28-18(13)19(24-15-9-16(10-15)29-3)25-20(26-28)21-23-7-8-27(21)2/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,24,25,26)
InChIKeyUKNIDPXRVYRMEB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.09
Rot. Bonds5

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

N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169238024) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID169238024
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC1CC(Nc2nc(-c3nccn3C)nn3cc(-c4cccnc4)c(C)c23)C1
InChIInChI=1S/C21H23N7O/c1-13-17(14-5-4-6-22-11-14)12-28-18(13)19(24-15-9-16(10-15)29-3)25-20(26-28)21-23-7-8-27(21)2/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,24,25,26)
InChIKeyUKNIDPXRVYRMEB-UHFFFAOYSA-N
XLogP3.09
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.09
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
4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine
CID 169237590
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-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 163747575
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
N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585263
6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 175943436
5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)-N-pyrimidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238054
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
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
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
(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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 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) is N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is COC1CC(Nc2nc(-c3nccn3C)nn3cc(-c4cccnc4)c(C)c23)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UKNIDPXRVYRMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-17(14-5-4-6-22-11-14)12-28-18(13)19(24-15-9-16(10-15)29-3)25-20(26-28)21-23-7-8-27(21)2/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,24,25,26).
What are the key properties of N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169238024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).