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

C25H25BrN8 — CID 171354778

IUPACN-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C25H25BrN8/c1-16-20-13-17(3-8-21(20)31-30-16)24-25(28-19-6-4-18(26)5-7-19)34-15-23(27-14-22(34)29-24)33-11-9-32(2)10-12-33/h3-8,13-15,28H,9-12H2,1-2H3,(H,30,31)
InChIKeyBCRDUNKQIPRBII-UHFFFAOYSA-N
MW517.44 g/mol
LogP4.84
Rot. Bonds4

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

N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 171354778) has the molecular formula C25H25BrN8 and a molecular weight of 517.44 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID171354778
Molecular FormulaC25H25BrN8
Molecular Weight517.44 g/mol
Exact Mass516.14
IUPAC NameN-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C25H25BrN8/c1-16-20-13-17(3-8-21(20)31-30-16)24-25(28-19-6-4-18(26)5-7-19)34-15-23(27-14-22(34)29-24)33-11-9-32(2)10-12-33/h3-8,13-15,28H,9-12H2,1-2H3,(H,30,31)
InChIKeyBCRDUNKQIPRBII-UHFFFAOYSA-N
XLogP4.84
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-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-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (CID 171354778) is N-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine is Cc1[nH]nc2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccc(Br)cc3)cc12.
What is the InChIKey of N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is BCRDUNKQIPRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN8/c1-16-20-13-17(3-8-21(20)31-30-16)24-25(28-19-6-4-18(26)5-7-19)34-15-23(27-14-22(34)29-24)33-11-9-32(2)10-12-33/h3-8,13-15,28H,9-12H2,1-2H3,(H,30,31).
What are the key properties of N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 517.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 171354778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).