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

C18H15Cl2N5O2 — CID 170116547

IUPAC5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1cc(Cl)ccc1C(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H15Cl2N5O2/c1-10-6-11(19)2-3-12(10)17(26)14-7-21-15-9-24(4-5-25(14)15)13-8-22-23-18(27)16(13)20/h2-3,6-8H,4-5,9H2,1H3,(H,23,27)
InChIKeyRQEWOJDPNOTVTC-UHFFFAOYSA-N
MW404.26 g/mol
LogP2.83
Rot. Bonds3

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

5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 170116547) has the molecular formula C18H15Cl2N5O2 and a molecular weight of 404.26 g/mol. Its IUPAC name is 5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID170116547
Molecular FormulaC18H15Cl2N5O2
Molecular Weight404.26 g/mol
Exact Mass403.06
IUPAC Name5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1cc(Cl)ccc1C(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H15Cl2N5O2/c1-10-6-11(19)2-3-12(10)17(26)14-7-21-15-9-24(4-5-25(14)15)13-8-22-23-18(27)16(13)20/h2-3,6-8H,4-5,9H2,1H3,(H,23,27)
InChIKeyRQEWOJDPNOTVTC-UHFFFAOYSA-N
XLogP2.83
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.83
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-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 170116547) is 5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-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-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is Cc1cc(Cl)ccc1C(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is RQEWOJDPNOTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2/c1-10-6-11(19)2-3-12(10)17(26)14-7-21-15-9-24(4-5-25(14)15)13-8-22-23-18(27)16(13)20/h2-3,6-8H,4-5,9H2,1H3,(H,23,27).
What are the key properties of 5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 404.26 g/mol, XLogP of 2.83, 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-(4-chloro-2-methylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 170116547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).