N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C23H24N6O3 — CID 66711818

IUPACN-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(-c2ccc3cnc(Nc4ccc(OC)c(N5CCOCC5)c4)nn23)cn1
InChIInChI=1S/C23H24N6O3/c1-30-21-7-4-17(13-20(21)28-9-11-32-12-10-28)26-23-25-15-18-5-6-19(29(18)27-23)16-3-8-22(31-2)24-14-16/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
InChIKeyJTIXACKMPLMZEG-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.39
Rot. Bonds6

About N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 66711818) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID66711818
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(-c2ccc3cnc(Nc4ccc(OC)c(N5CCOCC5)c4)nn23)cn1
InChIInChI=1S/C23H24N6O3/c1-30-21-7-4-17(13-20(21)28-9-11-32-12-10-28)26-23-25-15-18-5-6-19(29(18)27-23)16-3-8-22(31-2)24-14-16/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
InChIKeyJTIXACKMPLMZEG-UHFFFAOYSA-N
XLogP3.39
TPSA86.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,5-dihydro-2H-4,1-benzoxazepin-7-amine
CID 66711842
N-[3-[2-(4-methoxy-3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanesulfonamide
CID 66711059
N-(3-fluoro-4-morpholin-4-ylphenyl)-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710818
N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711961
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57399415
7-(2-methoxyphenyl)-N-[3-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712598
7-(3-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710786
N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66711044
N-[3-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]ethanesulfonamide
CID 91250392
7-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712599
N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine
CID 66712095
N-cyclopropyl-3-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 66711965

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 66711818) is N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1ccc(-c2ccc3cnc(Nc4ccc(OC)c(N5CCOCC5)c4)nn23)cn1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is JTIXACKMPLMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-30-21-7-4-17(13-20(21)28-9-11-32-12-10-28)26-23-25-15-18-5-6-19(29(18)27-23)16-3-8-22(31-2)24-14-16/h3-8,13-15H,9-12H2,1-2H3,(H,26,27).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 432.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 66711818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).