1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone

C23H22N8O2 — CID 146647558

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone
SMILESO=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ccnc2C1
InChIInChI=1S/C23H22N8O2/c32-21(31-8-7-30-6-5-24-19(30)14-31)11-20-28-29-22(33-20)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18/h1-6,12-13,18H,7-11,14H2,(H,25,26,27)
InChIKeyCGBLPDVUYUECTI-UHFFFAOYSA-N
MW442.48 g/mol
LogP1.89
Rot. Bonds5

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone (PubChem CID 146647558) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone
PubChem CID146647558
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone
SMILESO=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ccnc2C1
InChIInChI=1S/C23H22N8O2/c32-21(31-8-7-30-6-5-24-19(30)14-31)11-20-28-29-22(33-20)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18/h1-6,12-13,18H,7-11,14H2,(H,25,26,27)
InChIKeyCGBLPDVUYUECTI-UHFFFAOYSA-N
XLogP1.89
TPSA114.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone (CID 146647558) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone is O=C(Cc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)N1CCn2ccnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone?
The InChIKey is CGBLPDVUYUECTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c32-21(31-8-7-30-6-5-24-19(30)14-31)11-20-28-29-22(33-20)17-12-25-23(26-13-17)27-18-9-15-3-1-2-4-16(15)10-18/h1-6,12-13,18H,7-11,14H2,(H,25,26,27).
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone has a molecular weight of 442.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]ethanone is sourced from PubChem (CID 146647558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).