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

C19H23Cl2N3O3 — CID 69356558

IUPAC5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one
SMILESCCC(CCOC)n1cc(Cl)nc(C2CNc3c(Cl)cc(OC)cc32)c1=O
InChIInChI=1S/C19H23Cl2N3O3/c1-4-11(5-6-26-2)24-10-16(21)23-18(19(24)25)14-9-22-17-13(14)7-12(27-3)8-15(17)20/h7-8,10-11,14,22H,4-6,9H2,1-3H3
InChIKeyMMVNDUZNYCEXCK-UHFFFAOYSA-N
MW412.32 g/mol
LogP4.10
Rot. Bonds7

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

5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one (PubChem CID 69356558) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one
PubChem CID69356558
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one
SMILESCCC(CCOC)n1cc(Cl)nc(C2CNc3c(Cl)cc(OC)cc32)c1=O
InChIInChI=1S/C19H23Cl2N3O3/c1-4-11(5-6-26-2)24-10-16(21)23-18(19(24)25)14-9-22-17-13(14)7-12(27-3)8-15(17)20/h7-8,10-11,14,22H,4-6,9H2,1-3H3
InChIKeyMMVNDUZNYCEXCK-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 54.10
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-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one?
The IUPAC name of 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one (CID 69356558) is 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one?
The canonical SMILES for 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one is CCC(CCOC)n1cc(Cl)nc(C2CNc3c(Cl)cc(OC)cc32)c1=O.
What is the InChIKey of 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one?
The InChIKey is MMVNDUZNYCEXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-4-11(5-6-26-2)24-10-16(21)23-18(19(24)25)14-9-22-17-13(14)7-12(27-3)8-15(17)20/h7-8,10-11,14,22H,4-6,9H2,1-3H3.
What are the key properties of 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one?
5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one has a molecular weight of 412.32 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)-1-(1-methoxypentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 69356558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).