3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one

C14H14BrN5O — CID 79342105

IUPAC3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N3CCn4ccnc4C3)c(Br)cc21
InChIInChI=1S/C14H14BrN5O/c15-9-5-8-10(18-14(21)13(8)16)6-11(9)20-4-3-19-2-1-17-12(19)7-20/h1-2,5-6,13H,3-4,7,16H2,(H,18,21)
InChIKeyOVVSOSYUKMDQED-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.62
Rot. Bonds1

About 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one

3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one (PubChem CID 79342105) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one
PubChem CID79342105
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(N3CCn4ccnc4C3)c(Br)cc21
InChIInChI=1S/C14H14BrN5O/c15-9-5-8-10(18-14(21)13(8)16)6-11(9)20-4-3-19-2-1-17-12(19)7-20/h1-2,5-6,13H,3-4,7,16H2,(H,18,21)
InChIKeyOVVSOSYUKMDQED-UHFFFAOYSA-N
XLogP1.62
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
CID 66111141
(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
CID 63371929
5-bromo-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 79336678
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline
CID 103590364
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopent-2-en-1-one
CID 104787902
2-cyclopropyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
CID 137009633
5-bromo-3-(methylamino)-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 79344397
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
CID 63356456
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63014980
5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79343678
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-chloro-6-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 81097444

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one (CID 79342105) is 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(N3CCn4ccnc4C3)c(Br)cc21.
What is the InChIKey of 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one?
The InChIKey is OVVSOSYUKMDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c15-9-5-8-10(18-14(21)13(8)16)6-11(9)20-4-3-19-2-1-17-12(19)7-20/h1-2,5-6,13H,3-4,7,16H2,(H,18,21).
What are the key properties of 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one has a molecular weight of 348.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).