1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone

C24H20Cl2F3N7O2 — CID 56649455

IUPAC1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
SMILESO=C(CNc1c(-c2ccc(OC(F)(F)F)cc2)nc2cnccn12)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C24H20Cl2F3N7O2/c25-17-11-31-12-18(26)22(17)35-9-7-34(8-10-35)20(37)14-32-23-21(33-19-13-30-5-6-36(19)23)15-1-3-16(4-2-15)38-24(27,28)29/h1-6,11-13,32H,7-10,14H2
InChIKeyAVGBIDRVLMGEAW-UHFFFAOYSA-N
MW566.37 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (PubChem CID 56649455) has the molecular formula C24H20Cl2F3N7O2 and a molecular weight of 566.37 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
PubChem CID56649455
Molecular FormulaC24H20Cl2F3N7O2
Molecular Weight566.37 g/mol
Exact Mass565.10
IUPAC Name1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
SMILESO=C(CNc1c(-c2ccc(OC(F)(F)F)cc2)nc2cnccn12)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C24H20Cl2F3N7O2/c25-17-11-31-12-18(26)22(17)35-9-7-34(8-10-35)20(37)14-32-23-21(33-19-13-30-5-6-36(19)23)15-1-3-16(4-2-15)38-24(27,28)29/h1-6,11-13,32H,7-10,14H2
InChIKeyAVGBIDRVLMGEAW-UHFFFAOYSA-N
XLogP4.76
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (CID 56649455) is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.
What is the SMILES notation for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The canonical SMILES for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is O=C(CNc1c(-c2ccc(OC(F)(F)F)cc2)nc2cnccn12)N1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The InChIKey is AVGBIDRVLMGEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F3N7O2/c25-17-11-31-12-18(26)22(17)35-9-7-34(8-10-35)20(37)14-32-23-21(33-19-13-30-5-6-36(19)23)15-1-3-16(4-2-15)38-24(27,28)29/h1-6,11-13,32H,7-10,14H2.
What are the key properties of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone has a molecular weight of 566.37 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is sourced from PubChem (CID 56649455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).