N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H19FN6O2 — CID 145236206

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCOc1ccn2nc(-c3cccc(OC)n3)nc(Nc3ccncc3F)c12
InChIInChI=1S/C20H19FN6O2/c1-3-11-29-16-8-10-27-18(16)20(24-14-7-9-22-12-13(14)21)25-19(26-27)15-5-4-6-17(23-15)28-2/h4-10,12H,3,11H2,1-2H3,(H,22,24,25,26)
InChIKeyVBLQXCVYJGNGNA-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.87
Rot. Bonds7

About N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 145236206) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID145236206
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCOc1ccn2nc(-c3cccc(OC)n3)nc(Nc3ccncc3F)c12
InChIInChI=1S/C20H19FN6O2/c1-3-11-29-16-8-10-27-18(16)20(24-14-7-9-22-12-13(14)21)25-19(26-27)15-5-4-6-17(23-15)28-2/h4-10,12H,3,11H2,1-2H3,(H,22,24,25,26)
InChIKeyVBLQXCVYJGNGNA-UHFFFAOYSA-N
XLogP3.87
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]-2-methylpropan-2-ol
CID 126499713
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236182
[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl methanesulfonate
CID 135262404
(E)-4-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]but-3-en-1-ol
CID 126499772
1-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-[2-(4-oxido-1-oxo-1,4-thiazinan-4-ium-4-yl)ethylamino]ethanol
CID 135262411
5-chloro-2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499369
N-[3-(difluoromethyl)-4-pyridinyl]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 135262249
(3R)-3-fluoro-4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methylamino]-2-methylbutan-2-ol
CID 135262420
N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide
CID 135262294
ethane;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-methylbutane;3-methyl-4-propylheptane
CID 145235959
N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499741
4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]butan-2-ol
CID 126484423

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 145236206) is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine is CCCOc1ccn2nc(-c3cccc(OC)n3)nc(Nc3ccncc3F)c12.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is VBLQXCVYJGNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-3-11-29-16-8-10-27-18(16)20(24-14-7-9-22-12-13(14)21)25-19(26-27)15-5-4-6-17(23-15)28-2/h4-10,12H,3,11H2,1-2H3,(H,22,24,25,26).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 394.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 145236206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).