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

C23H23N5O2 — CID 57399415

IUPAC7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCOCC4)c3)nn12
InChIInChI=1S/C23H23N5O2/c1-29-22-8-3-2-7-20(22)21-10-9-19-16-24-23(26-28(19)21)25-17-5-4-6-18(15-17)27-11-13-30-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,26)
InChIKeyVJIKTTNMNOTLSG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.99
Rot. Bonds5

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

7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 57399415) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID57399415
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCOCC4)c3)nn12
InChIInChI=1S/C23H23N5O2/c1-29-22-8-3-2-7-20(22)21-10-9-19-16-24-23(26-28(19)21)25-17-5-4-6-18(15-17)27-11-13-30-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,26)
InChIKeyVJIKTTNMNOTLSG-UHFFFAOYSA-N
XLogP3.99
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 57399415) is 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCOCC4)c3)nn12.
What is the InChIKey of 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is VJIKTTNMNOTLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-29-22-8-3-2-7-20(22)21-10-9-19-16-24-23(26-28(19)21)25-17-5-4-6-18(15-17)27-11-13-30-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,26).
What are the key properties of 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 57399415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).