3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one

C17H14N4O2 — CID 91213429

IUPAC3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1cc(-c3ccco3)[nH]n1)C(=O)N2
InChIInChI=1S/C17H14N4O2/c1-10-4-2-5-12-16(10)11(17(22)19-12)9-18-15-8-13(20-21-15)14-6-3-7-23-14/h2-9,11H,1H3,(H,19,22)(H,20,21)/b18-9+
InChIKeyHZGOVOLRDKGTNE-GIJQJNRQSA-N
MW306.33 g/mol
LogP3.42
Rot. Bonds3

About 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one

3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one (PubChem CID 91213429) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
PubChem CID91213429
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1cc(-c3ccco3)[nH]n1)C(=O)N2
InChIInChI=1S/C17H14N4O2/c1-10-4-2-5-12-16(10)11(17(22)19-12)9-18-15-8-13(20-21-15)14-6-3-7-23-14/h2-9,11H,1H3,(H,19,22)(H,20,21)/b18-9+
InChIKeyHZGOVOLRDKGTNE-GIJQJNRQSA-N
XLogP3.42
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.42
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

5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one
CID 91485494
3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90746792
3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
CID 91553444
3-[[3-fluoro-4-(pyridin-4-ylmethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90819034
4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91542363
4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91616986
4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91126660
3-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)iminomethyl]-1,3-dihydroindol-2-one
CID 91455087
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
4-fluoro-3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-3-methylphenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91555126
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90992179

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one (CID 91213429) is 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1C(/C=N/c1cc(-c3ccco3)[nH]n1)C(=O)N2.
What is the InChIKey of 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is HZGOVOLRDKGTNE-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-4-2-5-12-16(10)11(17(22)19-12)9-18-15-8-13(20-21-15)14-6-3-7-23-14/h2-9,11H,1H3,(H,19,22)(H,20,21)/b18-9+.
What are the key properties of 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 306.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 91213429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).