5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

C19H18ClN5O2 — CID 170116562

IUPAC5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C)c1
InChIInChI=1S/C19H18ClN5O2/c1-11-3-4-13(12(2)7-11)18(26)15-8-21-16-10-24(5-6-25(15)16)14-9-22-23-19(27)17(14)20/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,27)
InChIKeyZKDJEBNAEDHVPX-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.49
Rot. Bonds3

About 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 170116562) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID170116562
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C)c1
InChIInChI=1S/C19H18ClN5O2/c1-11-3-4-13(12(2)7-11)18(26)15-8-21-16-10-24(5-6-25(15)16)14-9-22-23-19(27)17(14)20/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,27)
InChIKeyZKDJEBNAEDHVPX-UHFFFAOYSA-N
XLogP2.49
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 170116562) is 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is Cc1ccc(C(=O)c2cnc3n2CCN(c2cn[nH]c(=O)c2Cl)C3)c(C)c1.
What is the InChIKey of 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is ZKDJEBNAEDHVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-11-3-4-13(12(2)7-11)18(26)15-8-21-16-10-24(5-6-25(15)16)14-9-22-23-19(27)17(14)20/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,27).
What are the key properties of 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 383.84 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(2,4-dimethylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 170116562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).