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

C24H22BrN7O — CID 171354694

IUPACN-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C24H22BrN7O/c1-15-19-12-16(2-7-20(19)30-29-15)23-24(27-18-5-3-17(25)4-6-18)32-14-22(26-13-21(32)28-23)31-8-10-33-11-9-31/h2-7,12-14,27H,8-11H2,1H3,(H,29,30)
InChIKeyYNPPWAQKXUFDOI-UHFFFAOYSA-N
MW504.39 g/mol
LogP4.92
Rot. Bonds4

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

N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine (PubChem CID 171354694) has the molecular formula C24H22BrN7O and a molecular weight of 504.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
PubChem CID171354694
Molecular FormulaC24H22BrN7O
Molecular Weight504.39 g/mol
Exact Mass503.11
IUPAC NameN-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C24H22BrN7O/c1-15-19-12-16(2-7-20(19)30-29-15)23-24(27-18-5-3-17(25)4-6-18)32-14-22(26-13-21(32)28-23)31-8-10-33-11-9-31/h2-7,12-14,27H,8-11H2,1H3,(H,29,30)
InChIKeyYNPPWAQKXUFDOI-UHFFFAOYSA-N
XLogP4.92
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine 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-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine (CID 171354694) is N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine is Cc1[nH]nc2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Nc3ccc(Br)cc3)cc12.
What is the InChIKey of N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is YNPPWAQKXUFDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN7O/c1-15-19-12-16(2-7-20(19)30-29-15)23-24(27-18-5-3-17(25)4-6-18)32-14-22(26-13-21(32)28-23)31-8-10-33-11-9-31/h2-7,12-14,27H,8-11H2,1H3,(H,29,30).
What are the key properties of N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine?
N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 504.39 g/mol, XLogP of 4.92, 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-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 171354694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).