5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one

C17H18Cl3N3O2 — CID 69358094

IUPAC5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one
SMILESCC[C@H](COC)n1cc(Cl)nc(C2CNc3c(Cl)cc(Cl)cc32)c1=O
InChIInChI=1S/C17H18Cl3N3O2/c1-3-10(8-25-2)23-7-14(20)22-16(17(23)24)12-6-21-15-11(12)4-9(18)5-13(15)19/h4-5,7,10,12,21H,3,6,8H2,1-2H3/t10-,12?/m1/s1
InChIKeyJARVPFAWVQLNLM-RWANSRKNSA-N
MW402.71 g/mol
LogP4.36
Rot. Bonds5

About 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one

5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one (PubChem CID 69358094) has the molecular formula C17H18Cl3N3O2 and a molecular weight of 402.71 g/mol. Its IUPAC name is 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one
PubChem CID69358094
Molecular FormulaC17H18Cl3N3O2
Molecular Weight402.71 g/mol
Exact Mass401.05
IUPAC Name5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one
SMILESCC[C@H](COC)n1cc(Cl)nc(C2CNc3c(Cl)cc(Cl)cc32)c1=O
InChIInChI=1S/C17H18Cl3N3O2/c1-3-10(8-25-2)23-7-14(20)22-16(17(23)24)12-6-21-15-11(12)4-9(18)5-13(15)19/h4-5,7,10,12,21H,3,6,8H2,1-2H3/t10-,12?/m1/s1
InChIKeyJARVPFAWVQLNLM-RWANSRKNSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.71
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
The IUPAC name of 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one (CID 69358094) is 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
The canonical SMILES for 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one is CC[C@H](COC)n1cc(Cl)nc(C2CNc3c(Cl)cc(Cl)cc32)c1=O.
What is the InChIKey of 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
The InChIKey is JARVPFAWVQLNLM-RWANSRKNSA-N. The full InChI is InChI=1S/C17H18Cl3N3O2/c1-3-10(8-25-2)23-7-14(20)22-16(17(23)24)12-6-21-15-11(12)4-9(18)5-13(15)19/h4-5,7,10,12,21H,3,6,8H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one?
5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one has a molecular weight of 402.71 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5,7-dichloro-2,3-dihydro-1H-indol-3-yl)-1-[(2R)-1-methoxybutan-2-yl]pyrazin-2-one is sourced from PubChem (CID 69358094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).