3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one

C17H14N4O — CID 91553444

IUPAC3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc3cn[nH]c3c1)C(=O)N2
InChIInChI=1S/C17H14N4O/c1-10-3-2-4-14-16(10)13(17(22)20-14)9-18-12-6-5-11-8-19-21-15(11)7-12/h2-9,13H,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKeyHAJYYNRQVSTFPS-GIJQJNRQSA-N
MW290.33 g/mol
LogP3.31
Rot. Bonds2

About 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one

3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one (PubChem CID 91553444) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
PubChem CID91553444
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1C(/C=N/c1ccc3cn[nH]c3c1)C(=O)N2
InChIInChI=1S/C17H14N4O/c1-10-3-2-4-14-16(10)13(17(22)20-14)9-18-12-6-5-11-8-19-21-15(11)7-12/h2-9,13H,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKeyHAJYYNRQVSTFPS-GIJQJNRQSA-N
XLogP3.31
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90746792
2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91536921
3-[[3-fluoro-4-(pyridin-4-ylmethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90819034
3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91213429
3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91059431
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90992179
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
3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91126660
3-[[4-[butyl(ethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91213381
4-fluoro-3-[[4-[2-(1H-imidazol-5-yl)ethylamino]-3-methylphenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91555126
4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one (CID 91553444) is 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1C(/C=N/c1ccc3cn[nH]c3c1)C(=O)N2.
What is the InChIKey of 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is HAJYYNRQVSTFPS-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-3-2-4-14-16(10)13(17(22)20-14)9-18-12-6-5-11-8-19-21-15(11)7-12/h2-9,13H,1H3,(H,19,21)(H,20,22)/b18-9+.
What are the key properties of 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one?
3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 290.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 91553444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).