(3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one

C26H31FN4O3 — CID 10205227

IUPAC(3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C26H31FN4O3/c1-16-23(13-21-20-12-19(27)5-6-22(20)29-25(21)32)28-17(2)24(16)26(33)31-7-3-4-18(15-31)14-30-8-10-34-11-9-30/h5-6,12-13,18,28H,3-4,7-11,14-15H2,1-2H3,(H,29,32)/b21-13-
InChIKeyHXKPJBWTNAUNAZ-BKUYFWCQSA-N
MW466.56 g/mol
LogP3.45
Rot. Bonds4

About (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 10205227) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
PubChem CID10205227
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name(3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C26H31FN4O3/c1-16-23(13-21-20-12-19(27)5-6-22(20)29-25(21)32)28-17(2)24(16)26(33)31-7-3-4-18(15-31)14-30-8-10-34-11-9-30/h5-6,12-13,18,28H,3-4,7-11,14-15H2,1-2H3,(H,29,32)/b21-13-
InChIKeyHXKPJBWTNAUNAZ-BKUYFWCQSA-N
XLogP3.45
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sunitinib
CID 5329102
Toceranib
CID 5329106
Vorolanib
CID 59215954
Su-14813
CID 10138259
Famitinib
CID 16662431
Tafetinib
CID 56935577
N-Desethyl Sunitinib
CID 10292573
Henatinib
CID 25116064
Toceranib Phosphate
CID 16034840
SU-014335
CID 11221549
N,N-Dimethyl Sunitinib
CID 5329105
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (CID 10205227) is (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is HXKPJBWTNAUNAZ-BKUYFWCQSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-16-23(13-21-20-12-19(27)5-6-22(20)29-25(21)32)28-17(2)24(16)26(33)31-7-3-4-18(15-31)14-30-8-10-34-11-9-30/h5-6,12-13,18,28H,3-4,7-11,14-15H2,1-2H3,(H,29,32)/b21-13-.
What are the key properties of (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 466.56 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3,5-dimethyl-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 10205227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).