5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one

C19H24ClN3O3 — CID 69357149

IUPAC5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one
SMILESCCC(COC)n1cc(Cl)nc(C2CNc3c(C)cc(OC)cc32)c1=O
InChIInChI=1S/C19H24ClN3O3/c1-5-12(10-25-3)23-9-16(20)22-18(19(23)24)15-8-21-17-11(2)6-13(26-4)7-14(15)17/h6-7,9,12,15,21H,5,8,10H2,1-4H3
InChIKeyJNBYCNPMCPKARF-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.37
Rot. Bonds6

About 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one

5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one (PubChem CID 69357149) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one
PubChem CID69357149
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one
SMILESCCC(COC)n1cc(Cl)nc(C2CNc3c(C)cc(OC)cc32)c1=O
InChIInChI=1S/C19H24ClN3O3/c1-5-12(10-25-3)23-9-16(20)22-18(19(23)24)15-8-21-17-11(2)6-13(26-4)7-14(15)17/h6-7,9,12,15,21H,5,8,10H2,1-4H3
InChIKeyJNBYCNPMCPKARF-UHFFFAOYSA-N
XLogP3.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one?
The IUPAC name of 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one (CID 69357149) is 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one?
The canonical SMILES for 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one is CCC(COC)n1cc(Cl)nc(C2CNc3c(C)cc(OC)cc32)c1=O.
What is the InChIKey of 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one?
The InChIKey is JNBYCNPMCPKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-5-12(10-25-3)23-9-16(20)22-18(19(23)24)15-8-21-17-11(2)6-13(26-4)7-14(15)17/h6-7,9,12,15,21H,5,8,10H2,1-4H3.
What are the key properties of 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one?
5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one has a molecular weight of 377.87 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-methoxybutan-2-yl)-3-(5-methoxy-7-methyl-2,3-dihydro-1H-indol-3-yl)pyrazin-2-one is sourced from PubChem (CID 69357149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).