7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile

C26H28N6O2 — CID 143503144

IUPAC7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile
SMILESCOc1cccc2c(C#N)cn(CCCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12
InChIInChI=1S/C26H28N6O2/c1-33-23-6-4-5-22-21(17-27)18-32(24(22)23)14-3-2-13-31-15-9-20(10-16-31)26-29-25(30-34-26)19-7-11-28-12-8-19/h4-8,11-12,18,20H,2-3,9-10,13-16H2,1H3
InChIKeyKNQCNEXPMRLZSK-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.63
Rot. Bonds8

About 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile

7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile (PubChem CID 143503144) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile
PubChem CID143503144
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile
SMILESCOc1cccc2c(C#N)cn(CCCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12
InChIInChI=1S/C26H28N6O2/c1-33-23-6-4-5-22-21(17-27)18-32(24(22)23)14-3-2-13-31-15-9-20(10-16-31)26-29-25(30-34-26)19-7-11-28-12-8-19/h4-8,11-12,18,20H,2-3,9-10,13-16H2,1H3
InChIKeyKNQCNEXPMRLZSK-UHFFFAOYSA-N
XLogP4.63
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone
CID 58968379
N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
CID 58968068
1-[7-methoxy-1-[2-methyl-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58967813
1-[7-bromo-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 58967585
1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 58968059
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601
5-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 110235458
5-[(3S)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849685
(2,6-dimethoxyphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4318183
N-(2-methoxy-5-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 24731278

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile?
The IUPAC name of 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile (CID 143503144) is 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile.
What is the SMILES notation for 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile?
The canonical SMILES for 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile is COc1cccc2c(C#N)cn(CCCCN3CCC(c4nc(-c5ccncc5)no4)CC3)c12.
What is the InChIKey of 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile?
The InChIKey is KNQCNEXPMRLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-33-23-6-4-5-22-21(17-27)18-32(24(22)23)14-3-2-13-31-15-9-20(10-16-31)26-29-25(30-34-26)19-7-11-28-12-8-19/h4-8,11-12,18,20H,2-3,9-10,13-16H2,1H3.
What are the key properties of 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile?
7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile has a molecular weight of 456.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[4-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butyl]indole-3-carbonitrile is sourced from PubChem (CID 143503144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).