N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline

C24H27N7 — CID 155545669

IUPACN,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline
SMILESCN1CCN(c2ccc(-c3cn4c(-c5cccc(N(C)C)c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C24H27N7/c1-28(2)20-6-4-5-18(13-20)22-15-27-24-16-25-21(17-31(22)24)19-7-8-23(26-14-19)30-11-9-29(3)10-12-30/h4-8,13-17H,9-12H2,1-3H3
InChIKeyMOEYXOFJMJDKQH-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.28
Rot. Bonds4

About N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline

N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline (PubChem CID 155545669) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline
PubChem CID155545669
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC NameN,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline
SMILESCN1CCN(c2ccc(-c3cn4c(-c5cccc(N(C)C)c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C24H27N7/c1-28(2)20-6-4-5-18(13-20)22-15-27-24-16-25-21(17-31(22)24)19-7-8-23(26-14-19)30-11-9-29(3)10-12-30/h4-8,13-17H,9-12H2,1-3H3
InChIKeyMOEYXOFJMJDKQH-UHFFFAOYSA-N
XLogP3.28
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline (CID 155545669) is N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline is CN1CCN(c2ccc(-c3cn4c(-c5cccc(N(C)C)c5)cnc4cn3)cn2)CC1.
What is the InChIKey of N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline?
The InChIKey is MOEYXOFJMJDKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-28(2)20-6-4-5-18(13-20)22-15-27-24-16-25-21(17-31(22)24)19-7-8-23(26-14-19)30-11-9-29(3)10-12-30/h4-8,13-17H,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline?
N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline has a molecular weight of 413.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]aniline is sourced from PubChem (CID 155545669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).