4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide

C27H26N6O2 — CID 148723889

IUPAC4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1)C1CCOCC1
InChIInChI=1S/C27H26N6O2/c1-32(23-8-12-35-13-9-23)27(34)18-4-6-22(7-5-18)30-25-26-29-10-11-33(26)17-24(31-25)19-2-3-20-15-28-16-21(20)14-19/h2-7,10-11,14-15,17,23H,8-9,12-13,16H2,1H3,(H,30,31)
InChIKeyNZPWJSGTGHQXGE-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.32
Rot. Bonds5

About 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide

4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 148723889) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID148723889
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1)C1CCOCC1
InChIInChI=1S/C27H26N6O2/c1-32(23-8-12-35-13-9-23)27(34)18-4-6-22(7-5-18)30-25-26-29-10-11-33(26)17-24(31-25)19-2-3-20-15-28-16-21(20)14-19/h2-7,10-11,14-15,17,23H,8-9,12-13,16H2,1H3,(H,30,31)
InChIKeyNZPWJSGTGHQXGE-UHFFFAOYSA-N
XLogP4.32
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide 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

6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 152848131
6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147798212
1-(3-hydroxy-3-methylazetidin-1-yl)-2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanone
CID 153092073
N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104617
N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104618
N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide
CID 159621291
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(2-methoxyethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 147310764
(3S)-3-hydroxy-3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-inden-2-one
CID 158668845
1-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3H-indol-2-one
CID 149389474
4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 58688035
4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 147088426

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide (CID 148723889) is 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1)C1CCOCC1.
What is the InChIKey of 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is NZPWJSGTGHQXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-32(23-8-12-35-13-9-23)27(34)18-4-6-22(7-5-18)30-25-26-29-10-11-33(26)17-24(31-25)19-2-3-20-15-28-16-21(20)14-19/h2-7,10-11,14-15,17,23H,8-9,12-13,16H2,1H3,(H,30,31).
What are the key properties of 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide?
4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 466.55 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 148723889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).