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

C19H21BrClN3O2 — CID 10274881

IUPAC3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
SMILESCC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
InChIInChI=1S/C19H21BrClN3O2/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/t15-/m0/s1
InChIKeyWGXUTRGZXOFMON-HNNXBMFYSA-N
MW438.75 g/mol
LogP4.72
Rot. Bonds5

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

3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one (PubChem CID 10274881) has the molecular formula C19H21BrClN3O2 and a molecular weight of 438.75 g/mol. Its IUPAC name is 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one.

Molecular Properties

Compound Name3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
PubChem CID10274881
Molecular FormulaC19H21BrClN3O2
Molecular Weight438.75 g/mol
Exact Mass437.05
IUPAC Name3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
SMILESCC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
InChIInChI=1S/C19H21BrClN3O2/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/t15-/m0/s1
InChIKeyWGXUTRGZXOFMON-HNNXBMFYSA-N
XLogP4.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.75
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-1-(1-cyclopropylpropyl)pyrazin-2-one
CID 18452783
3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-1-butan-2-yl-5-chloropyrazin-2-one
CID 10201774
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)-5-chloro-1-(2-methylsulfanylethyl)pyrazin-2-one
CID 10203004
CID 89383890
CID 89383890
3-(8-bromo-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-(1-chloropentan-3-yl)-1H-pyrazin-2-one
CID 69396012
5-bromo-1-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-3-(2,6-dichloro-4-methoxyanilino)pyrazin-2-one
CID 71580215
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
4-[(1R)-1-cyclopropylpropyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
CID 44596701
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CID 22052152

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
The IUPAC name of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one (CID 10274881) is 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one.
What is the SMILES notation for 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
The canonical SMILES for 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one is CC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O.
What is the InChIKey of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
The InChIKey is WGXUTRGZXOFMON-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21BrClN3O2/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/t15-/m0/s1.
What are the key properties of 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one has a molecular weight of 438.75 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-5-methoxy-2,3-dihydroindol-1-yl)-5-chloro-1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one is sourced from PubChem (CID 10274881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).