2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine

C23H26N8 — CID 66712536

IUPAC2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(NCc5ccncc5)n4n3)c2)CC1
InChIInChI=1S/C23H26N8/c1-29-11-13-30(14-12-29)20-4-2-3-19(15-20)27-23-26-17-21-5-6-22(31(21)28-23)25-16-18-7-9-24-10-8-18/h2-10,15,17,25H,11-14,16H2,1H3,(H,27,28)
InChIKeyUWJQJUVKTNNUIO-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.23
Rot. Bonds6

About 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine

2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine (PubChem CID 66712536) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine.

Molecular Properties

Compound Name2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine
PubChem CID66712536
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(NCc5ccncc5)n4n3)c2)CC1
InChIInChI=1S/C23H26N8/c1-29-11-13-30(14-12-29)20-4-2-3-19(15-20)27-23-26-17-21-5-6-22(31(21)28-23)25-16-18-7-9-24-10-8-18/h2-10,15,17,25H,11-14,16H2,1H3,(H,27,28)
InChIKeyUWJQJUVKTNNUIO-UHFFFAOYSA-N
XLogP3.23
TPSA73.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711673
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711644
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712093
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(4-methyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712528
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497
2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 66711825
2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 69059062
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
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57399415
7-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 67424857
2-N-[[3-[2-(benzylamino)anilino]phenyl]methyl]-4-(4-methylpiperazin-1-yl)benzene-1,2-diamine
CID 123504804

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine?
The IUPAC name of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine (CID 66712536) is 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine.
What is the SMILES notation for 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine?
The canonical SMILES for 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine is CN1CCN(c2cccc(Nc3ncc4ccc(NCc5ccncc5)n4n3)c2)CC1.
What is the InChIKey of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine?
The InChIKey is UWJQJUVKTNNUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-29-11-13-30(14-12-29)20-4-2-3-19(15-20)27-23-26-17-21-5-6-22(31(21)28-23)25-16-18-7-9-24-10-8-18/h2-10,15,17,25H,11-14,16H2,1H3,(H,27,28).
What are the key properties of 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine?
2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine has a molecular weight of 414.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine is sourced from PubChem (CID 66712536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).