5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one

C16H11FN4O2 — CID 91485494

IUPAC5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H11FN4O2/c17-9-3-4-12-10(6-9)11(16(22)19-12)8-18-15-7-13(20-21-15)14-2-1-5-23-14/h1-8,11H,(H,19,22)(H,20,21)/b18-8+
InChIKeyYJJAHHDQMWAIFT-QGMBQPNBSA-N
MW310.29 g/mol
LogP3.25
Rot. Bonds3

About 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one

5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91485494) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91485494
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H11FN4O2/c17-9-3-4-12-10(6-9)11(16(22)19-12)8-18-15-7-13(20-21-15)14-2-1-5-23-14/h1-8,11H,(H,19,22)(H,20,21)/b18-8+
InChIKeyYJJAHHDQMWAIFT-QGMBQPNBSA-N
XLogP3.25
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91213429
5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91275674
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91149648
3-[[5-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1H-pyrazol-3-yl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90800827
5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91504086
3-[[4-[3-(diethylamino)pyrrolidin-1-yl]-3-methylphenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91429971
1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide
CID 91393535
3-[[4-[butyl(ethyl)amino]-3-fluorophenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91343024
5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 57317859
3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
CID 106986875
6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 16771645

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one (CID 91485494) is 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1/C=N/c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is YJJAHHDQMWAIFT-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-9-3-4-12-10(6-9)11(16(22)19-12)8-18-15-7-13(20-21-15)14-2-1-5-23-14/h1-8,11H,(H,19,22)(H,20,21)/b18-8+.
What are the key properties of 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 310.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91485494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).