5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one

C18H18Cl3N3O — CID 10135525

IUPAC5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C18H18Cl3N3O/c1-2-14(10-3-4-10)24-9-15(21)22-17(18(24)25)23-6-5-11-7-12(19)8-13(20)16(11)23/h7-10,14H,2-6H2,1H3/t14-/m1/s1
InChIKeyBWNXWIOKVHHFOK-CQSZACIVSA-N
MW398.72 g/mol
LogP5.26
Rot. Bonds4

About 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one (PubChem CID 10135525) has the molecular formula C18H18Cl3N3O and a molecular weight of 398.72 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one
PubChem CID10135525
Molecular FormulaC18H18Cl3N3O
Molecular Weight398.72 g/mol
Exact Mass397.05
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
InChIInChI=1S/C18H18Cl3N3O/c1-2-14(10-3-4-10)24-9-15(21)22-17(18(24)25)23-6-5-11-7-12(19)8-13(20)16(11)23/h7-10,14H,2-6H2,1H3/t14-/m1/s1
InChIKeyBWNXWIOKVHHFOK-CQSZACIVSA-N
XLogP5.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one (CID 10135525) is 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one is CC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one?
The InChIKey is BWNXWIOKVHHFOK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18Cl3N3O/c1-2-14(10-3-4-10)24-9-15(21)22-17(18(24)25)23-6-5-11-7-12(19)8-13(20)16(11)23/h7-10,14H,2-6H2,1H3/t14-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one has a molecular weight of 398.72 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one is sourced from PubChem (CID 10135525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).