4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one

C29H27FN2O3 — CID 91192034

IUPAC4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2cccc(-c3cccc(F)c3)c2C1=Cc1[nH]c2c(c1C(=O)C1CC[C@@H](O)C1)CCCC2
InChIInChI=1S/C29H27FN2O3/c30-18-6-3-5-16(13-18)20-8-4-10-24-26(20)22(29(35)32-24)15-25-27(21-7-1-2-9-23(21)31-25)28(34)17-11-12-19(33)14-17/h3-6,8,10,13,15,17,19,31,33H,1-2,7,9,11-12,14H2,(H,32,35)/t17?,19-/m1/s1
InChIKeyFWNLGOHHAUTZFU-WHCXFUJUSA-N
MW470.54 g/mol
LogP5.54
Rot. Bonds4

About 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one

4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one (PubChem CID 91192034) has the molecular formula C29H27FN2O3 and a molecular weight of 470.54 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one
PubChem CID91192034
Molecular FormulaC29H27FN2O3
Molecular Weight470.54 g/mol
Exact Mass470.20
IUPAC Name4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2cccc(-c3cccc(F)c3)c2C1=Cc1[nH]c2c(c1C(=O)C1CC[C@@H](O)C1)CCCC2
InChIInChI=1S/C29H27FN2O3/c30-18-6-3-5-16(13-18)20-8-4-10-24-26(20)22(29(35)32-24)15-25-27(21-7-1-2-9-23(21)31-25)28(34)17-11-12-19(33)14-17/h3-6,8,10,13,15,17,19,31,33H,1-2,7,9,11-12,14H2,(H,32,35)/t17?,19-/m1/s1
InChIKeyFWNLGOHHAUTZFU-WHCXFUJUSA-N
XLogP5.54
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one (CID 91192034) is 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one is O=C1Nc2cccc(-c3cccc(F)c3)c2C1=Cc1[nH]c2c(c1C(=O)C1CC[C@@H](O)C1)CCCC2.
What is the InChIKey of 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is FWNLGOHHAUTZFU-WHCXFUJUSA-N. The full InChI is InChI=1S/C29H27FN2O3/c30-18-6-3-5-16(13-18)20-8-4-10-24-26(20)22(29(35)32-24)15-25-27(21-7-1-2-9-23(21)31-25)28(34)17-11-12-19(33)14-17/h3-6,8,10,13,15,17,19,31,33H,1-2,7,9,11-12,14H2,(H,32,35)/t17?,19-/m1/s1.
What are the key properties of 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one?
4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 470.54 g/mol, XLogP of 5.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-[[3-[(3R)-3-hydroxycyclopentanecarbonyl]-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 91192034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).