7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C24H26N6O — CID 57402937

IUPAC7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCN(C)CC4)c3)nn12
InChIInChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)19-7-5-6-18(16-19)26-24-25-17-20-10-11-22(30(20)27-24)21-8-3-4-9-23(21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27)
InChIKeyHZDPYDDFQSGPAX-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.90
Rot. Bonds5

About 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 57402937) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID57402937
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCN(C)CC4)c3)nn12
InChIInChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)19-7-5-6-18(16-19)26-24-25-17-20-10-11-22(30(20)27-24)21-8-3-4-9-23(21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27)
InChIKeyHZDPYDDFQSGPAX-UHFFFAOYSA-N
XLogP3.90
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.90
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-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 57402937) is 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCN(C)CC4)c3)nn12.
What is the InChIKey of 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is HZDPYDDFQSGPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)19-7-5-6-18(16-19)26-24-25-17-20-10-11-22(30(20)27-24)21-8-3-4-9-23(21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27).
What are the key properties of 7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(2-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 414.51 g/mol, XLogP of 3.90, 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-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 57402937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).