5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one

C16H22N4O — CID 79918799

IUPAC5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N1CCN3CCCCC3C1)NC(=O)C2
InChIInChI=1S/C16H22N4O/c17-13-7-11-8-16(21)18-14(11)9-15(13)20-6-5-19-4-2-1-3-12(19)10-20/h7,9,12H,1-6,8,10,17H2,(H,18,21)
InChIKeyBSSFAHXGDZMDGA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.44
Rot. Bonds1

About 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one

5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one (PubChem CID 79918799) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
PubChem CID79918799
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N1CCN3CCCCC3C1)NC(=O)C2
InChIInChI=1S/C16H22N4O/c17-13-7-11-8-16(21)18-14(11)9-15(13)20-6-5-19-4-2-1-3-12(19)10-20/h7,9,12H,1-6,8,10,17H2,(H,18,21)
InChIKeyBSSFAHXGDZMDGA-UHFFFAOYSA-N
XLogP1.44
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 63150926
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
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5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 61440898
5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 43383153
5-amino-6-(2-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 83053519
6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43455503
1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194517
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-chloroaniline
CID 113315828
5-amino-6-(cyclopentylamino)-1,3-dihydroindol-2-one
CID 43451665
6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 102986412
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
CID 66323000

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one (CID 79918799) is 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one is Nc1cc2c(cc1N1CCN3CCCCC3C1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is BSSFAHXGDZMDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-13-7-11-8-16(21)18-14(11)9-15(13)20-6-5-19-4-2-1-3-12(19)10-20/h7,9,12H,1-6,8,10,17H2,(H,18,21).
What are the key properties of 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one?
5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79918799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).