(3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one

C28H32FN5O2 — CID 10074279

IUPAC(3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one
SMILESCOCCN1CCC(Nc2ccc3c(c2)/C(=C(\c2ccc(C)c(F)c2)c2ncc(C)[nH]2)C(=O)N3)CC1
InChIInChI=1S/C28H32FN5O2/c1-17-4-5-19(14-23(17)29)25(27-30-16-18(2)31-27)26-22-15-21(6-7-24(22)33-28(26)35)32-20-8-10-34(11-9-20)12-13-36-3/h4-7,14-16,20,32H,8-13H2,1-3H3,(H,30,31)(H,33,35)/b26-25-
InChIKeyDTSLUDBVYDSFSI-QPLCGJKRSA-N
MW489.60 g/mol
LogP4.60
Rot. Bonds7

About (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one

(3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one (PubChem CID 10074279) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one
PubChem CID10074279
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC Name(3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one
SMILESCOCCN1CCC(Nc2ccc3c(c2)/C(=C(\c2ccc(C)c(F)c2)c2ncc(C)[nH]2)C(=O)N3)CC1
InChIInChI=1S/C28H32FN5O2/c1-17-4-5-19(14-23(17)29)25(27-30-16-18(2)31-27)26-22-15-21(6-7-24(22)33-28(26)35)32-20-8-10-34(11-9-20)12-13-36-3/h4-7,14-16,20,32H,8-13H2,1-3H3,(H,30,31)(H,33,35)/b26-25-
InChIKeyDTSLUDBVYDSFSI-QPLCGJKRSA-N
XLogP4.60
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one with MolForge

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Related Compounds

Xl-999
CID 10433653
3-[(4-chlorophenyl)-(1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one
CID 67161540
ethyl N-[3-[(R)-[4-[ethyl(methyl)carbamoyl]phenyl]-[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]phenyl]carbamate
CID 57395447
5-[(1-ethylpiperidin-4-yl)amino]-3-[1H-imidazol-2-yl(phenyl)methylidene]-1H-indol-2-one
CID 67161103
5-[(1-ethylpiperidin-4-yl)amino]-3-[(2-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-1H-indol-2-one
CID 67161862
3-[(3,5-difluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one
CID 67162590
5-[(1-ethylpiperidin-4-yl)amino]-3-[(3-fluorophenyl)-(1H-imidazol-2-yl)methylidene]-1H-indol-2-one
CID 67163022
5-[(1-ethylpiperidin-4-yl)amino]-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-1H-indol-2-one
CID 67163677
1-[(3,4-difluorophenyl)methyl]-N-[3-[[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]amino]-3-oxopropyl]-2-oxopyridine-3-carboxamide
CID 124126388
1-[(3,4-difluorophenyl)methyl]-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]-2-oxopyridine-3-carboxamide
CID 124126392
1-[(3,4-difluorophenyl)methyl]-N-[4-[[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]amino]-4-oxobutyl]-2-oxopyridine-3-carboxamide
CID 124126393
1-[(3,4-difluorophenyl)methyl]-N-[3-[[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]carbamoyl]phenyl]-2-oxopyridine-3-carboxamide
CID 124126394

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one (CID 10074279) is (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one is COCCN1CCC(Nc2ccc3c(c2)/C(=C(\c2ccc(C)c(F)c2)c2ncc(C)[nH]2)C(=O)N3)CC1.
What is the InChIKey of (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one?
The InChIKey is DTSLUDBVYDSFSI-QPLCGJKRSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-17-4-5-19(14-23(17)29)25(27-30-16-18(2)31-27)26-22-15-21(6-7-24(22)33-28(26)35)32-20-8-10-34(11-9-20)12-13-36-3/h4-7,14-16,20,32H,8-13H2,1-3H3,(H,30,31)(H,33,35)/b26-25-.
What are the key properties of (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one?
(3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one has a molecular weight of 489.60 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-fluoro-4-methylphenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 10074279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).