1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione

C18H20N4O3 — CID 69217439

IUPAC1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nn(CCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H20N4O3/c23-16-6-7-17(24)22(16)18-14-4-1-2-5-15(14)21(19-18)9-3-8-20-10-12-25-13-11-20/h1-2,4-7H,3,8-13H2
InChIKeyNXSOQVWGGCCDDS-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.19
Rot. Bonds5

About 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione

1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione (PubChem CID 69217439) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione
PubChem CID69217439
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nn(CCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H20N4O3/c23-16-6-7-17(24)22(16)18-14-4-1-2-5-15(14)21(19-18)9-3-8-20-10-12-25-13-11-20/h1-2,4-7H,3,8-13H2
InChIKeyNXSOQVWGGCCDDS-UHFFFAOYSA-N
XLogP1.19
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
5-methyl-3-(3-morpholin-4-ylpropyl)pyrimido[5,4-b]indol-4-one
CID 666243
1-[3-(azepan-1-yl)propyl]-3-bromoindazole
CID 54493358
N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179909
1-[3-(3-iodoindazol-1-yl)propyl]piperidin-4-ol
CID 23324052
2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one
CID 157135766
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
3-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-prop-2-enylindol-3-yl)pyrrole-2,5-dione
CID 72708285
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
N-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179916
1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10084115

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione (CID 69217439) is 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1nn(CCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione?
The InChIKey is NXSOQVWGGCCDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16-6-7-17(24)22(16)18-14-4-1-2-5-15(14)21(19-18)9-3-8-20-10-12-25-13-11-20/h1-2,4-7H,3,8-13H2.
What are the key properties of 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione?
1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione has a molecular weight of 340.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 69217439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).