N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C19H20FN7O — CID 170642881

IUPACN-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCC1CC(Nc2nc(OC)c3c(-c4ccc5ncnn5c4)c(F)cn3n2)C1
InChIInChI=1S/C19H20FN7O/c1-3-11-6-13(7-11)23-19-24-18(28-2)17-16(14(20)9-27(17)25-19)12-4-5-15-21-10-22-26(15)8-12/h4-5,8-11,13H,3,6-7H2,1-2H3,(H,23,25)
InChIKeyVYVJFPVITIWIHG-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.19
Rot. Bonds5

About N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170642881) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170642881
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC NameN-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCC1CC(Nc2nc(OC)c3c(-c4ccc5ncnn5c4)c(F)cn3n2)C1
InChIInChI=1S/C19H20FN7O/c1-3-11-6-13(7-11)23-19-24-18(28-2)17-16(14(20)9-27(17)25-19)12-4-5-15-21-10-22-26(15)8-12/h4-5,8-11,13H,3,6-7H2,1-2H3,(H,23,25)
InChIKeyVYVJFPVITIWIHG-UHFFFAOYSA-N
XLogP3.19
TPSA81.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
CID 170657276
N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide
CID 170642459
4-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170641750
1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 170642523
5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170657369
6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642954
5-[6-fluoro-4-methoxy-2-(spiro[2.5]octan-6-ylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170642542
N-[3-[[5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 174160029
5-[4-diazenyl-3-(2-fluoroethylamino)phenyl]-6-fluoro-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 177156333
4-[[5-[4-diazenyl-3-[[(2S)-2-fluoropropyl]amino]phenyl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 177156778
N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-fluoro-5-[3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803893
3-[[5-[(3R)-3-[(2R)-4,4-difluorobutan-2-yl]-3,4-dihydroquinolin-6-yl]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-2,2-dimethylpropanenitrile
CID 177156810

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170642881) is N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is CCC1CC(Nc2nc(OC)c3c(-c4ccc5ncnn5c4)c(F)cn3n2)C1.
What is the InChIKey of N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is VYVJFPVITIWIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-3-11-6-13(7-11)23-19-24-18(28-2)17-16(14(20)9-27(17)25-19)12-4-5-15-21-10-22-26(15)8-12/h4-5,8-11,13H,3,6-7H2,1-2H3,(H,23,25).
What are the key properties of N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 381.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170642881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).