5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one

C19H21Cl2N3O2 — CID 18452783

IUPAC5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one
SMILESCCC(C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Cl)c32)c1=O
InChIInChI=1S/C19H21Cl2N3O2/c1-3-15(11-4-5-11)24-10-16(21)22-18(19(24)25)23-7-6-12-8-13(26-2)9-14(20)17(12)23/h8-11,15H,3-7H2,1-2H3
InChIKeyRFSKJPDFBCOZGM-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.61
Rot. Bonds5

About 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one

5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one (PubChem CID 18452783) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one
PubChem CID18452783
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one
SMILESCCC(C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Cl)c32)c1=O
InChIInChI=1S/C19H21Cl2N3O2/c1-3-15(11-4-5-11)24-10-16(21)22-18(19(24)25)23-7-6-12-8-13(26-2)9-14(20)17(12)23/h8-11,15H,3-7H2,1-2H3
InChIKeyRFSKJPDFBCOZGM-UHFFFAOYSA-N
XLogP4.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
CID 10274881
5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-(5,7-dichloro-2,3-dihydroindol-1-yl)pyrazin-2-one
CID 10135525
5-chloro-3-(5-methoxy-7-methyl-2,3-dihydroindol-1-yl)-1-pentan-3-ylpyrazin-2-one
CID 10292096
3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one
CID 10201774
CID 89383890
CID 89383890
3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-(2-methylsulfanylethyl)pyrazin-2-one
CID 10203004
6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-N-(1-methoxypentan-3-yl)-2-methylpyrimidin-4-amine
CID 10293807
6-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-5-iodo-2-methyl-N-(1-propoxypropyl)pyrimidin-4-amine
CID 18452773
5-bromo-1-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-3-(2,6-dichloro-4-methoxyanilino)pyrazin-2-one
CID 71580215
8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 22052152
4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-6-(2,6-dichloro-4-methoxyanilino)-5-oxopyrazine-2-carbonitrile
CID 71580216
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-5-(2,6-dichloro-4-methoxyanilino)-3-methyl-1,2,4-triazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one?
The IUPAC name of 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one (CID 18452783) is 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one?
The canonical SMILES for 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one is CCC(C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Cl)c32)c1=O.
What is the InChIKey of 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one?
The InChIKey is RFSKJPDFBCOZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-3-15(11-4-5-11)24-10-16(21)22-18(19(24)25)23-7-6-12-8-13(26-2)9-14(20)17(12)23/h8-11,15H,3-7H2,1-2H3.
What are the key properties of 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one?
5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one has a molecular weight of 394.30 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one is sourced from PubChem (CID 18452783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).