[2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C27H28Cl2FN7O2 — CID 147613805

IUPAC[2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(O)c(F)c5Cl)cnc34)cc2Cl)CC1
InChIInChI=1S/C27H28Cl2FN7O2/c1-34(2)9-10-35-11-13-36(14-12-35)27(39)18-4-3-17(15-20(18)28)33-25-26-32-16-21(37(26)8-7-31-25)19-5-6-22(38)24(30)23(19)29/h3-8,15-16,38H,9-14H2,1-2H3,(H,31,33)
InChIKeyGCNACSJTOAVSKH-UHFFFAOYSA-N
MW572.47 g/mol
LogP4.61
Rot. Bonds7

About [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

[2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 147613805) has the molecular formula C27H28Cl2FN7O2 and a molecular weight of 572.47 g/mol. Its IUPAC name is [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID147613805
Molecular FormulaC27H28Cl2FN7O2
Molecular Weight572.47 g/mol
Exact Mass571.17
IUPAC Name[2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(O)c(F)c5Cl)cnc34)cc2Cl)CC1
InChIInChI=1S/C27H28Cl2FN7O2/c1-34(2)9-10-35-11-13-36(14-12-35)27(39)18-4-3-17(15-20(18)28)33-25-26-32-16-21(37(26)8-7-31-25)19-5-6-22(38)24(30)23(19)29/h3-8,15-16,38H,9-14H2,1-2H3,(H,31,33)
InChIKeyGCNACSJTOAVSKH-UHFFFAOYSA-N
XLogP4.61
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 147613805) is [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(O)c(F)c5Cl)cnc34)cc2Cl)CC1.
What is the InChIKey of [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is GCNACSJTOAVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2FN7O2/c1-34(2)9-10-35-11-13-36(14-12-35)27(39)18-4-3-17(15-20(18)28)33-25-26-32-16-21(37(26)8-7-31-25)19-5-6-22(38)24(30)23(19)29/h3-8,15-16,38H,9-14H2,1-2H3,(H,31,33).
What are the key properties of [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
[2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 572.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[3-(2-chloro-3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 147613805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).