3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

C23H27N5O — CID 90468782

IUPAC3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
SMILESCOc1cccnc1N1CCN(CCCCc2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C23H27N5O/c1-29-22-6-4-9-25-23(22)28-13-11-27(12-14-28)10-3-2-5-19-17-26-21-8-7-18(16-24)15-20(19)21/h4,6-9,15,17,26H,2-3,5,10-14H2,1H3
InChIKeyOIFLBXMKKKYROG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.59
Rot. Bonds7

About 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile (PubChem CID 90468782) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
PubChem CID90468782
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
SMILESCOc1cccnc1N1CCN(CCCCc2c[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C23H27N5O/c1-29-22-6-4-9-25-23(22)28-13-11-27(12-14-28)10-3-2-5-19-17-26-21-8-7-18(16-24)15-20(19)21/h4,6-9,15,17,26H,2-3,5,10-14H2,1H3
InChIKeyOIFLBXMKKKYROG-UHFFFAOYSA-N
XLogP3.59
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
3-[4-[4-(2-chloro-6-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 172554455
3-[4-[4-[4-[(3-chloro-2-pyridinyl)oxy]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118499187
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
ethane;3-[4-[4-[5-(4-fluorophenyl)-3-(nitrosomethyl)-2-pyridinyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 145196091
3-[3-[4-[4-[(3-cyano-2-pyridinyl)sulfanyl]phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 118499056
3-[4-[4-[5-(4-fluorophenyl)-3-(nitrosomethyl)-2-pyridinyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 135183167
2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide
CID 145234467
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 90646598
3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
CID 90468568
3-[4-[4-[4-methyl-3-[2-(methylamino)ethyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 141055672

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile (CID 90468782) is 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile is COc1cccnc1N1CCN(CCCCc2c[nH]c3ccc(C#N)cc23)CC1.
What is the InChIKey of 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
The InChIKey is OIFLBXMKKKYROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-29-22-6-4-9-25-23(22)28-13-11-27(12-14-28)10-3-2-5-19-17-26-21-8-7-18(16-24)15-20(19)21/h4,6-9,15,17,26H,2-3,5,10-14H2,1H3.
What are the key properties of 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile has a molecular weight of 389.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 90468782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).