6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine

C24H25N5O2 — CID 118032838

IUPAC6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(OC)cc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnn3c2)c1
InChIInChI=1S/C24H25N5O2/c1-30-21-12-18(13-22(15-21)31-2)19-14-23-24(25-17-26-29(23)16-19)28-10-8-27(9-11-28)20-6-4-3-5-7-20/h3-7,12-17H,8-11H2,1-2H3
InChIKeyWEMRPKAYNXBRCT-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.74
Rot. Bonds5

About 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine

6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 118032838) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID118032838
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cc(OC)cc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnn3c2)c1
InChIInChI=1S/C24H25N5O2/c1-30-21-12-18(13-22(15-21)31-2)19-14-23-24(25-17-26-29(23)16-19)28-10-8-27(9-11-28)20-6-4-3-5-7-20/h3-7,12-17H,8-11H2,1-2H3
InChIKeyWEMRPKAYNXBRCT-UHFFFAOYSA-N
XLogP3.74
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine (CID 118032838) is 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine is COc1cc(OC)cc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnn3c2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is WEMRPKAYNXBRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-30-21-12-18(13-22(15-21)31-2)19-14-23-24(25-17-26-29(23)16-19)28-10-8-27(9-11-28)20-6-4-3-5-7-20/h3-7,12-17H,8-11H2,1-2H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine?
6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 415.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 118032838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).