5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile

C24H23N5O2 — CID 155267834

IUPAC5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2ccc(-c3ccc(C(=O)N4CCNC(=O)C5(CC5)NCC4)cc3)cc12
InChIInChI=1S/C24H23N5O2/c25-14-19-15-27-21-6-5-18(13-20(19)21)16-1-3-17(4-2-16)22(30)29-11-9-26-23(31)24(7-8-24)28-10-12-29/h1-6,13,15,27-28H,7-12H2,(H,26,31)
InChIKeyXNWAUJRDQMUYGG-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.40
Rot. Bonds2

About 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile

5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile (PubChem CID 155267834) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile
PubChem CID155267834
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2ccc(-c3ccc(C(=O)N4CCNC(=O)C5(CC5)NCC4)cc3)cc12
InChIInChI=1S/C24H23N5O2/c25-14-19-15-27-21-6-5-18(13-20(19)21)16-1-3-17(4-2-16)22(30)29-11-9-26-23(31)24(7-8-24)28-10-12-29/h1-6,13,15,27-28H,7-12H2,(H,26,31)
InChIKeyXNWAUJRDQMUYGG-UHFFFAOYSA-N
XLogP2.40
TPSA101.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile with MolForge

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Related Compounds

8-[4-(1-methylbenzimidazol-5-yl)benzoyl]-5,8,11-triazaspiro[3.8]dodecan-12-one
CID 155267696
8-[4-(1,3-benzothiazol-5-yl)benzoyl]-2-oxa-5,8,11-triazaspiro[3.8]dodecan-12-one
CID 155267707
7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one
CID 155267691
4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
CID 129191371
5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 22017560
[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
CID 155197004
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
5-[4-[4-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-3-yl]phenyl]-1H-indole-3-carbonitrile
CID 77170381
5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile
CID 139377212
9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56757453
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237

Frequently Asked Questions

What is the IUPAC name of 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile?
The IUPAC name of 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile (CID 155267834) is 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile?
The canonical SMILES for 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile is N#Cc1c[nH]c2ccc(-c3ccc(C(=O)N4CCNC(=O)C5(CC5)NCC4)cc3)cc12.
What is the InChIKey of 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile?
The InChIKey is XNWAUJRDQMUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-14-19-15-27-21-6-5-18(13-20(19)21)16-1-3-17(4-2-16)22(30)29-11-9-26-23(31)24(7-8-24)28-10-12-29/h1-6,13,15,27-28H,7-12H2,(H,26,31).
What are the key properties of 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile?
5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile has a molecular weight of 413.48 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile is sourced from PubChem (CID 155267834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).