N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H14FN6OP — CID 145236182

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3ccc(P)n3n2)n1
InChIInChI=1S/C17H14FN6OP/c1-25-14-4-2-3-12(20-14)16-22-17(13-5-6-15(26)24(13)23-16)21-11-7-8-19-9-10(11)18/h2-9H,26H2,1H3,(H,19,21,22,23)
InChIKeyNUFLMXKMZPRGTM-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.58
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 145236182) has the molecular formula C17H14FN6OP and a molecular weight of 368.31 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID145236182
Molecular FormulaC17H14FN6OP
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3ccc(P)n3n2)n1
InChIInChI=1S/C17H14FN6OP/c1-25-14-4-2-3-12(20-14)16-22-17(13-5-6-15(26)24(13)23-16)21-11-7-8-19-9-10(11)18/h2-9H,26H2,1H3,(H,19,21,22,23)
InChIKeyNUFLMXKMZPRGTM-UHFFFAOYSA-N
XLogP2.58
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[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
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236206
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
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
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
1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanone
CID 126499747
6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine
CID 159778733
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
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
N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499651

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 145236182) is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[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)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3F)c3ccc(P)n3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NUFLMXKMZPRGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN6OP/c1-25-14-4-2-3-12(20-14)16-22-17(13-5-6-15(26)24(13)23-16)21-11-7-8-19-9-10(11)18/h2-9H,26H2,1H3,(H,19,21,22,23).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 368.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 145236182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).