N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine

C26H27BrN8 — CID 171345126

IUPACN-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1cc(Br)ccc1Nc1c(-c2ccc3n[nH]c(C)c3c2)nc2cnc(N3CCN(C)CC3)cn12
InChIInChI=1S/C26H27BrN8/c1-16-12-19(27)5-7-21(16)29-26-25(18-4-6-22-20(13-18)17(2)31-32-22)30-23-14-28-24(15-35(23)26)34-10-8-33(3)9-11-34/h4-7,12-15,29H,8-11H2,1-3H3,(H,31,32)
InChIKeyVURCKHAPPUVQPA-UHFFFAOYSA-N
MW531.46 g/mol
LogP5.15
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine

N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 171345126) has the molecular formula C26H27BrN8 and a molecular weight of 531.46 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID171345126
Molecular FormulaC26H27BrN8
Molecular Weight531.46 g/mol
Exact Mass530.15
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1cc(Br)ccc1Nc1c(-c2ccc3n[nH]c(C)c3c2)nc2cnc(N3CCN(C)CC3)cn12
InChIInChI=1S/C26H27BrN8/c1-16-12-19(27)5-7-21(16)29-26-25(18-4-6-22-20(13-18)17(2)31-32-22)30-23-14-28-24(15-35(23)26)34-10-8-33(3)9-11-34/h4-7,12-15,29H,8-11H2,1-3H3,(H,31,32)
InChIKeyVURCKHAPPUVQPA-UHFFFAOYSA-N
XLogP5.15
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.46
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (CID 171345126) is N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine is Cc1cc(Br)ccc1Nc1c(-c2ccc3n[nH]c(C)c3c2)nc2cnc(N3CCN(C)CC3)cn12.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is VURCKHAPPUVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN8/c1-16-12-19(27)5-7-21(16)29-26-25(18-4-6-22-20(13-18)17(2)31-32-22)30-23-14-28-24(15-35(23)26)34-10-8-33(3)9-11-34/h4-7,12-15,29H,8-11H2,1-3H3,(H,31,32).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 531.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 171345126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).