[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone

C26H29Cl2N5O2 — CID 121309843

IUPAC[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C26H29Cl2N5O2/c27-19-3-4-20(21(28)13-19)25-23(33-15-22(17-1-2-17)29-14-24(33)30-25)16-31-7-9-32(10-8-31)26(34)18-5-11-35-12-6-18/h3-4,13-15,17-18H,1-2,5-12,16H2
InChIKeyBWKQCRKWAVRISK-UHFFFAOYSA-N
MW514.46 g/mol
LogP4.65
Rot. Bonds5

About [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone

[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 121309843) has the molecular formula C26H29Cl2N5O2 and a molecular weight of 514.46 g/mol. Its IUPAC name is [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID121309843
Molecular FormulaC26H29Cl2N5O2
Molecular Weight514.46 g/mol
Exact Mass513.17
IUPAC Name[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C26H29Cl2N5O2/c27-19-3-4-20(21(28)13-19)25-23(33-15-22(17-1-2-17)29-14-24(33)30-25)16-31-7-9-32(10-8-31)26(34)18-5-11-35-12-6-18/h3-4,13-15,17-18H,1-2,5-12,16H2
InChIKeyBWKQCRKWAVRISK-UHFFFAOYSA-N
XLogP4.65
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone (CID 121309843) is [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C4CC4)cn23)CC1.
What is the InChIKey of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is BWKQCRKWAVRISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N5O2/c27-19-3-4-20(21(28)13-19)25-23(33-15-22(17-1-2-17)29-14-24(33)30-25)16-31-7-9-32(10-8-31)26(34)18-5-11-35-12-6-18/h3-4,13-15,17-18H,1-2,5-12,16H2.
What are the key properties of [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 514.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 121309843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).