6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C24H23N7 — CID 147798212

IUPAC6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCNCC5)cc4)n3)ccc21
InChIInChI=1S/C24H23N7/c1-2-18-14-26-15-19(18)13-17(1)22-16-31-12-9-27-24(31)23(29-22)28-20-3-5-21(6-4-20)30-10-7-25-8-11-30/h1-6,9,12-14,16,25H,7-8,10-11,15H2,(H,28,29)
InChIKeyHKZLWUHAVBZVFX-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.48
Rot. Bonds4

About 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 147798212) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID147798212
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCNCC5)cc4)n3)ccc21
InChIInChI=1S/C24H23N7/c1-2-18-14-26-15-19(18)13-17(1)22-16-31-12-9-27-24(31)23(29-22)28-20-3-5-21(6-4-20)30-10-7-25-8-11-30/h1-6,9,12-14,16,25H,7-8,10-11,15H2,(H,28,29)
InChIKeyHKZLWUHAVBZVFX-UHFFFAOYSA-N
XLogP3.48
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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
N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104617
6-(3H-isoindol-5-yl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 148617941
4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(oxan-4-yl)benzamide
CID 148723889
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(2-methoxyethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 147310764
N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104618
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
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
1-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3H-indol-2-one
CID 149389474
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 152848131
(3S)-3-hydroxy-3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-inden-2-one
CID 158668845
6-(3-hydrazinylphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 144744402

Frequently Asked Questions

What is the IUPAC name of 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 147798212) is 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is C1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCNCC5)cc4)n3)ccc21.
What is the InChIKey of 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is HKZLWUHAVBZVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-2-18-14-26-15-19(18)13-17(1)22-16-31-12-9-27-24(31)23(29-22)28-20-3-5-21(6-4-20)30-10-7-25-8-11-30/h1-6,9,12-14,16,25H,7-8,10-11,15H2,(H,28,29).
What are the key properties of 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 409.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 147798212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).