6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione

C19H18N4O5 — CID 113202549

IUPAC6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CCN1C(=O)c2cccnc2C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O5/c24-15(5-7-23-17(25)13-3-1-6-20-16(13)19(23)27)21-8-10-22(11-9-21)18(26)14-4-2-12-28-14/h1-4,6,12H,5,7-11H2
InChIKeyLLOBDVSCMCCVAM-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.65
Rot. Bonds4

About 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113202549) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113202549
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CCN1C(=O)c2cccnc2C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O5/c24-15(5-7-23-17(25)13-3-1-6-20-16(13)19(23)27)21-8-10-22(11-9-21)18(26)14-4-2-12-28-14/h1-4,6,12H,5,7-11H2
InChIKeyLLOBDVSCMCCVAM-UHFFFAOYSA-N
XLogP0.65
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione with MolForge

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Related Compounds

2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600736
8-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 46273961
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550045
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1,3-oxazol-4-yl)propan-1-one
CID 110679021
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 113202525
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024550
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 55486391
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 23793377
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113202549) is 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C(CCN1C(=O)c2cccnc2C1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is LLOBDVSCMCCVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-15(5-7-23-17(25)13-3-1-6-20-16(13)19(23)27)21-8-10-22(11-9-21)18(26)14-4-2-12-28-14/h1-4,6,12H,5,7-11H2.
What are the key properties of 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 382.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113202549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).