8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline

C23H23FN4 — CID 174159605

IUPAC8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
SMILESCc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)cc2cn(C)nc12
InChIInChI=1S/C23H23FN4/c1-14-9-17(10-18-13-28(2)27-22(14)18)20-12-19(24)11-16-3-4-21(26-23(16)20)15-5-7-25-8-6-15/h3-4,9-13,15,25H,5-8H2,1-2H3
InChIKeyFNRQDXMHRLKFBN-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.70
Rot. Bonds2

About 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline

8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline (PubChem CID 174159605) has the molecular formula C23H23FN4 and a molecular weight of 374.46 g/mol. Its IUPAC name is 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline.

Molecular Properties

Compound Name8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
PubChem CID174159605
Molecular FormulaC23H23FN4
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Name8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
SMILESCc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)cc2cn(C)nc12
InChIInChI=1S/C23H23FN4/c1-14-9-17(10-18-13-28(2)27-22(14)18)20-12-19(24)11-16-3-4-21(26-23(16)20)15-5-7-25-8-6-15/h3-4,9-13,15,25H,5-8H2,1-2H3
InChIKeyFNRQDXMHRLKFBN-UHFFFAOYSA-N
XLogP4.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylisoquinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoxaline
CID 161237062
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline
CID 174159671
6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 174159696
2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050706
6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156888169
6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 156757727
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
CID 142492191
2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178050881
3-(2,7-dimethylindazol-5-yl)-5-fluoro-7-(2,3,6,7-tetrahydro-1H-azepin-4-yl)cinnoline
CID 146585392
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538

Frequently Asked Questions

What is the IUPAC name of 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline?
The IUPAC name of 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline (CID 174159605) is 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline.
What is the SMILES notation for 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline?
The canonical SMILES for 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline is Cc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)cc2cn(C)nc12.
What is the InChIKey of 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline?
The InChIKey is FNRQDXMHRLKFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4/c1-14-9-17(10-18-13-28(2)27-22(14)18)20-12-19(24)11-16-3-4-21(26-23(16)20)15-5-7-25-8-6-15/h3-4,9-13,15,25H,5-8H2,1-2H3.
What are the key properties of 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline?
8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline has a molecular weight of 374.46 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline is sourced from PubChem (CID 174159605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).