N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine

C21H19FN6O — CID 66711961

IUPACN-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESFc1ccc(Nc2ncc3ccc(-c4cccnc4)n3n2)cc1N1CCOCC1
InChIInChI=1S/C21H19FN6O/c22-18-5-3-16(12-20(18)27-8-10-29-11-9-27)25-21-24-14-17-4-6-19(28(17)26-21)15-2-1-7-23-13-15/h1-7,12-14H,8-11H2,(H,25,26)
InChIKeyPMEOYLLLOPMLAS-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.51
Rot. Bonds4

About N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine

N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 66711961) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID66711961
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC NameN-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESFc1ccc(Nc2ncc3ccc(-c4cccnc4)n3n2)cc1N1CCOCC1
InChIInChI=1S/C21H19FN6O/c22-18-5-3-16(12-20(18)27-8-10-29-11-9-27)25-21-24-14-17-4-6-19(28(17)26-21)15-2-1-7-23-13-15/h1-7,12-14H,8-11H2,(H,25,26)
InChIKeyPMEOYLLLOPMLAS-UHFFFAOYSA-N
XLogP3.51
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 66711961) is N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine is Fc1ccc(Nc2ncc3ccc(-c4cccnc4)n3n2)cc1N1CCOCC1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is PMEOYLLLOPMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-18-5-3-16(12-20(18)27-8-10-29-11-9-27)25-21-24-14-17-4-6-19(28(17)26-21)15-2-1-7-23-13-15/h1-7,12-14H,8-11H2,(H,25,26).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 390.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 66711961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).