1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione

C19H26N6O2 — CID 127414865

IUPAC1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione
SMILESCC(C)(CCC(=O)N1CCn2ccnc2C1)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C19H26N6O2/c1-19(2,18(27)25-12-10-23-8-6-21-16(23)14-25)4-3-17(26)24-11-9-22-7-5-20-15(22)13-24/h5-8H,3-4,9-14H2,1-2H3
InChIKeyIPHPQVXDRWZXRY-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.27
Rot. Bonds4

About 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione

1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione (PubChem CID 127414865) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione
PubChem CID127414865
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione
SMILESCC(C)(CCC(=O)N1CCn2ccnc2C1)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C19H26N6O2/c1-19(2,18(27)25-12-10-23-8-6-21-16(23)14-25)4-3-17(26)24-11-9-22-7-5-20-15(22)13-24/h5-8H,3-4,9-14H2,1-2H3
InChIKeyIPHPQVXDRWZXRY-UHFFFAOYSA-N
XLogP1.27
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione?
The IUPAC name of 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione (CID 127414865) is 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione.
What is the SMILES notation for 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione?
The canonical SMILES for 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione is CC(C)(CCC(=O)N1CCn2ccnc2C1)C(=O)N1CCn2ccnc2C1.
What is the InChIKey of 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione?
The InChIKey is IPHPQVXDRWZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-19(2,18(27)25-12-10-23-8-6-21-16(23)14-25)4-3-17(26)24-11-9-22-7-5-20-15(22)13-24/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione?
1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione has a molecular weight of 370.46 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethylpentane-1,5-dione is sourced from PubChem (CID 127414865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).