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

C20H21ClN6O2 — CID 170116556

IUPAC5-chloro-4-[3-[4-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1cc(N(C)C)ccc1C(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C20H21ClN6O2/c1-12-8-13(25(2)3)4-5-14(12)19(28)16-9-22-17-11-26(6-7-27(16)17)15-10-23-24-20(29)18(15)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,24,29)
InChIKeyAKRSNHAUPMEGED-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.25
Rot. Bonds4

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

5-chloro-4-[3-[4-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 170116556) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 5-chloro-4-[3-[4-(dimethylamino)-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-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID170116556
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name5-chloro-4-[3-[4-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1cc(N(C)C)ccc1C(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C20H21ClN6O2/c1-12-8-13(25(2)3)4-5-14(12)19(28)16-9-22-17-11-26(6-7-27(16)17)15-10-23-24-20(29)18(15)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,24,29)
InChIKeyAKRSNHAUPMEGED-UHFFFAOYSA-N
XLogP2.25
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[4-(dimethylamino)-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-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 170116556) is 5-chloro-4-[3-[4-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is Cc1cc(N(C)C)ccc1C(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[3-[4-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is AKRSNHAUPMEGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-12-8-13(25(2)3)4-5-14(12)19(28)16-9-22-17-11-26(6-7-27(16)17)15-10-23-24-20(29)18(15)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,24,29).
What are the key properties of 5-chloro-4-[3-[4-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-[4-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 412.88 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[4-(dimethylamino)-2-methylbenzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 170116556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).