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

C15H18N4O2 — CID 103194517

IUPAC1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESNc1cc2c(cc1N1CCCC3C(=O)NCC31)NC(=O)C2
InChIInChI=1S/C15H18N4O2/c16-10-4-8-5-14(20)18-11(8)6-12(10)19-3-1-2-9-13(19)7-17-15(9)21/h4,6,9,13H,1-3,5,7,16H2,(H,17,21)(H,18,20)
InChIKeyCIMPDFYLRIQWMM-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.48
Rot. Bonds1

About 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

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 (PubChem CID 103194517) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103194517
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESNc1cc2c(cc1N1CCCC3C(=O)NCC31)NC(=O)C2
InChIInChI=1S/C15H18N4O2/c16-10-4-8-5-14(20)18-11(8)6-12(10)19-3-1-2-9-13(19)7-17-15(9)21/h4,6,9,13H,1-3,5,7,16H2,(H,17,21)(H,18,20)
InChIKeyCIMPDFYLRIQWMM-UHFFFAOYSA-N
XLogP0.48
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
CID 55216307
3-amino-4-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)benzamide
CID 103194435
1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194483
5-amino-6-(2-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 83053519
5-amino-6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dihydroindol-2-one
CID 63150926
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
1-(3-amino-5-chloro-2-pyridinyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194493
4-amino-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)benzamide
CID 103194545
5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 61440898
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
1-(5-aminopyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194551
2-amino-3-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)benzenesulfonamide
CID 103194559

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1cc2c(cc1N1CCCC3C(=O)NCC31)NC(=O)C2.
What is the InChIKey of 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?
The InChIKey is CIMPDFYLRIQWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-10-4-8-5-14(20)18-11(8)6-12(10)19-3-1-2-9-13(19)7-17-15(9)21/h4,6,9,13H,1-3,5,7,16H2,(H,17,21)(H,18,20).
What are the key properties of 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?
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 has a molecular weight of 286.33 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 103194517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).