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

C27H30FN5O2 — CID 10344873

IUPAC(3Z)-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one
SMILESCOCCN1CCC(Nc2ccc3c(c2)/C(=C(\c2cccc(F)c2)c2ncc(C)[nH]2)C(=O)N3)CC1
InChIInChI=1S/C27H30FN5O2/c1-17-16-29-26(30-17)24(18-4-3-5-19(28)14-18)25-22-15-21(6-7-23(22)32-27(25)34)31-20-8-10-33(11-9-20)12-13-35-2/h3-7,14-16,20,31H,8-13H2,1-2H3,(H,29,30)(H,32,34)/b25-24-
InChIKeyJPRYHYAQGHPIBL-IZHYLOQSSA-N
MW475.57 g/mol
LogP4.29
Rot. Bonds7

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

(3Z)-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one (PubChem CID 10344873) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is (3Z)-3-[(3-fluorophenyl)-(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-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one
PubChem CID10344873
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC Name(3Z)-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one
SMILESCOCCN1CCC(Nc2ccc3c(c2)/C(=C(\c2cccc(F)c2)c2ncc(C)[nH]2)C(=O)N3)CC1
InChIInChI=1S/C27H30FN5O2/c1-17-16-29-26(30-17)24(18-4-3-5-19(28)14-18)25-22-15-21(6-7-23(22)32-27(25)34)31-20-8-10-33(11-9-20)12-13-35-2/h3-7,14-16,20,31H,8-13H2,1-2H3,(H,29,30)(H,32,34)/b25-24-
InChIKeyJPRYHYAQGHPIBL-IZHYLOQSSA-N
XLogP4.29
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.29
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'}

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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
(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714571
N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 24788668
N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide
CID 53310267
N-[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide
CID 53310268
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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-fluorophenyl)-(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-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one (CID 10344873) is (3Z)-3-[(3-fluorophenyl)-(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-fluorophenyl)-(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-fluorophenyl)-(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(\c2cccc(F)c2)c2ncc(C)[nH]2)C(=O)N3)CC1.
What is the InChIKey of (3Z)-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one?
The InChIKey is JPRYHYAQGHPIBL-IZHYLOQSSA-N. The full InChI is InChI=1S/C27H30FN5O2/c1-17-16-29-26(30-17)24(18-4-3-5-19(28)14-18)25-22-15-21(6-7-23(22)32-27(25)34)31-20-8-10-33(11-9-20)12-13-35-2/h3-7,14-16,20,31H,8-13H2,1-2H3,(H,29,30)(H,32,34)/b25-24-.
What are the key properties of (3Z)-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one?
(3Z)-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one has a molecular weight of 475.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 10344873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).