3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile

C23H25N5 — CID 141460175

IUPAC3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3C4CCC3CN(c3ccccn3)C4)c2c1
InChIInChI=1S/C23H25N5/c24-13-17-6-9-22-21(12-17)18(14-26-22)4-3-11-28-19-7-8-20(28)16-27(15-19)23-5-1-2-10-25-23/h1-2,5-6,9-10,12,14,19-20,26H,3-4,7-8,11,15-16H2
InChIKeyHZSFMFKFDBDJND-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.72
Rot. Bonds5

About 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile

3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile (PubChem CID 141460175) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile
PubChem CID141460175
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3C4CCC3CN(c3ccccn3)C4)c2c1
InChIInChI=1S/C23H25N5/c24-13-17-6-9-22-21(12-17)18(14-26-22)4-3-11-28-19-7-8-20(28)16-27(15-19)23-5-1-2-10-25-23/h1-2,5-6,9-10,12,14,19-20,26H,3-4,7-8,11,15-16H2
InChIKeyHZSFMFKFDBDJND-UHFFFAOYSA-N
XLogP3.72
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile with MolForge

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Related Compounds

5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 90646598
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 90468782
3-[3-[4-[4-[(3-cyano-2-pyridinyl)sulfanyl]phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 118499056
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide
CID 145234467
3-[(1-benzhydrylazetidin-3-yl)methyl]-1H-indole-5-carbonitrile
CID 69204264
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
3-[4-[4-[4-[(3-chloro-2-pyridinyl)oxy]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118499187

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile (CID 141460175) is 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCCN3C4CCC3CN(c3ccccn3)C4)c2c1.
What is the InChIKey of 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile?
The InChIKey is HZSFMFKFDBDJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c24-13-17-6-9-22-21(12-17)18(14-26-22)4-3-11-28-19-7-8-20(28)16-27(15-19)23-5-1-2-10-25-23/h1-2,5-6,9-10,12,14,19-20,26H,3-4,7-8,11,15-16H2.
What are the key properties of 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile?
3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile has a molecular weight of 371.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-pyridin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 141460175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).