7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one

C24H26FN5O2 — CID 155267691

IUPAC7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one
SMILESCc1nn(C)c2ccc(-c3ccc(C(=O)N4CCNC(=O)C5(CC5)NCC4)c(F)c3)cc12
InChIInChI=1S/C24H26FN5O2/c1-15-19-13-16(4-6-21(19)29(2)28-15)17-3-5-18(20(25)14-17)22(31)30-11-9-26-23(32)24(7-8-24)27-10-12-30/h3-6,13-14,27H,7-12H2,1-2H3,(H,26,32)
InChIKeyLCHQNOQOGZKIOX-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.38
Rot. Bonds2

About 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one

7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one (PubChem CID 155267691) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one.

Molecular Properties

Compound Name7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one
PubChem CID155267691
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one
SMILESCc1nn(C)c2ccc(-c3ccc(C(=O)N4CCNC(=O)C5(CC5)NCC4)c(F)c3)cc12
InChIInChI=1S/C24H26FN5O2/c1-15-19-13-16(4-6-21(19)29(2)28-15)17-3-5-18(20(25)14-17)22(31)30-11-9-26-23(32)24(7-8-24)27-10-12-30/h3-6,13-14,27H,7-12H2,1-2H3,(H,26,32)
InChIKeyLCHQNOQOGZKIOX-UHFFFAOYSA-N
XLogP2.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one 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
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
CID 118621575
[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621873
4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one
CID 126797508
5-[4-(11-oxo-4,7,10-triazaspiro[2.8]undecane-7-carbonyl)phenyl]-1H-indole-3-carbonitrile
CID 155267834
1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-5-one
CID 56821249
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639745
(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143120198
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116
1-(2-fluoro-4-hydroxybenzoyl)-1,4-diazepan-5-one
CID 104929759
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621425

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one?
The IUPAC name of 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one (CID 155267691) is 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one.
What is the SMILES notation for 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one?
The canonical SMILES for 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one is Cc1nn(C)c2ccc(-c3ccc(C(=O)N4CCNC(=O)C5(CC5)NCC4)c(F)c3)cc12.
What is the InChIKey of 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one?
The InChIKey is LCHQNOQOGZKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-19-13-16(4-6-21(19)29(2)28-15)17-3-5-18(20(25)14-17)22(31)30-11-9-26-23(32)24(7-8-24)27-10-12-30/h3-6,13-14,27H,7-12H2,1-2H3,(H,26,32).
What are the key properties of 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one?
7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one has a molecular weight of 435.50 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one is sourced from PubChem (CID 155267691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).