6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one

C34H37N5O4 — CID 135151462

IUPAC6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(c2nnc(-c3ccc4ccccc4c3)o2)C1
InChIInChI=1S/C34H37N5O4/c1-4-26(40)10-7-15-38-16-17-39(32(41)20-28-22(2)35-30-14-13-27(42-3)19-29(28)30)31(21-38)34-37-36-33(43-34)25-12-11-23-8-5-6-9-24(23)18-25/h5-6,8-9,11-14,18-19,31,35H,4,7,10,15-17,20-21H2,1-3H3
InChIKeyXVDSFBSAWBYKAR-UHFFFAOYSA-N
MW579.70 g/mol
LogP5.88
Rot. Bonds10

About 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one

6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one (PubChem CID 135151462) has the molecular formula C34H37N5O4 and a molecular weight of 579.70 g/mol. Its IUPAC name is 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one
PubChem CID135151462
Molecular FormulaC34H37N5O4
Molecular Weight579.70 g/mol
Exact Mass579.28
IUPAC Name6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(c2nnc(-c3ccc4ccccc4c3)o2)C1
InChIInChI=1S/C34H37N5O4/c1-4-26(40)10-7-15-38-16-17-39(32(41)20-28-22(2)35-30-14-13-27(42-3)19-29(28)30)31(21-38)34-37-36-33(43-34)25-12-11-23-8-5-6-9-24(23)18-25/h5-6,8-9,11-14,18-19,31,35H,4,7,10,15-17,20-21H2,1-3H3
InChIKeyXVDSFBSAWBYKAR-UHFFFAOYSA-N
XLogP5.88
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-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

(1R,13S)-11-(5-methoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 44304174
(1R,13S,14S)-11-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-14-methyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 44462914
5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
CID 122183772
(2S)-2-{[(5-Methoxy-2-methyl-1H-indol-3-yl)acetyl]amino}-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 11512777
7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2-yl)isoindolin-1-one
CID 16666911
(6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one
CID 122600448
(6S)-6-[(4-benzoylpiperazin-1-yl)methyl]-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600462
(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 122600569
(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenoxymethyl)piperazin-2-one
CID 122600580
(6S)-6-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 122600581
(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one
CID 122600603
(6R)-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methoxyphenyl)methyl]-6-(phenylmethoxymethyl)piperazin-2-one
CID 122600606

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one?
The IUPAC name of 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one (CID 135151462) is 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one.
What is the SMILES notation for 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one?
The canonical SMILES for 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one is CCC(=O)CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(OC)cc23)C(c2nnc(-c3ccc4ccccc4c3)o2)C1.
What is the InChIKey of 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one?
The InChIKey is XVDSFBSAWBYKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4/c1-4-26(40)10-7-15-38-16-17-39(32(41)20-28-22(2)35-30-14-13-27(42-3)19-29(28)30)31(21-38)34-37-36-33(43-34)25-12-11-23-8-5-6-9-24(23)18-25/h5-6,8-9,11-14,18-19,31,35H,4,7,10,15-17,20-21H2,1-3H3.
What are the key properties of 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one?
6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one has a molecular weight of 579.70 g/mol, XLogP of 5.88, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]hexan-3-one is sourced from PubChem (CID 135151462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).