4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one

C24H29FN4O — CID 58541085

IUPAC4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
SMILESCc1ccc(CCC(=O)C(C)c2ccc3n[nH]c(F)c3c2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C24H29FN4O/c1-15-10-12-29(13-11-15)24-18(5-4-16(2)26-24)7-9-22(30)17(3)19-6-8-21-20(14-19)23(25)28-27-21/h4-6,8,14-15,17H,7,9-13H2,1-3H3,(H,27,28)
InChIKeyUAYNQGVMGZUIFD-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.95
Rot. Bonds6

About 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one

4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one (PubChem CID 58541085) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one.

Molecular Properties

Compound Name4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
PubChem CID58541085
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
SMILESCc1ccc(CCC(=O)C(C)c2ccc3n[nH]c(F)c3c2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C24H29FN4O/c1-15-10-12-29(13-11-15)24-18(5-4-16(2)26-24)7-9-22(30)17(3)19-6-8-21-20(14-19)23(25)28-27-21/h4-6,8,14-15,17H,7,9-13H2,1-3H3,(H,27,28)
InChIKeyUAYNQGVMGZUIFD-UHFFFAOYSA-N
XLogP4.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one with MolForge

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Related Compounds

4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
CID 58369296
4-[4-(aminomethyl)-3-fluorophenyl]-1-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]pentan-3-one
CID 158609842
N-[2-fluoro-4-[5-[2-(4-methoxypiperidin-1-yl)-6-methyl-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 161021654
2-[2-fluoro-4-[5-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]ethanesulfonamide
CID 158609843
3-[4-[3-fluoro-4-(sulfamoylamino)phenyl]-3-oxopentyl]-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 160947970
1-(3,5-dibromophenyl)-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one
CID 58369320
N-[2-methyl-4-[5-[6-methyl-2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
CID 159338395
2-(4-amino-3,5-dibromophenyl)-N-[[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 145493009
N-[4-[5-[2-(3,5-dimethylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-oxopentan-2-yl]-2-fluorophenyl]methanesulfonamide
CID 147465919
N-[4-[5-[2-(azepan-1-yl)-6-[chloro(difluoro)methyl]-3-pyridinyl]-3-oxopentan-2-yl]-2-fluorophenyl]methanesulfonamide
CID 161062741
ethyl 5-[4-[3-fluoro-4-(methanesulfonamido)phenyl]-3-oxopentyl]-2-methyl-4-(4-methylpiperidin-1-yl)benzoate
CID 157088083
4-[4-(aminomethyl)-3-methoxyphenyl]-1-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]pentan-3-one;tert-butyl N-[[2-methoxy-4-[5-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methyl]carbamate;2-methoxy-4-[5-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-oxopentan-2-yl]benzonitrile;4-[3-methoxy-4-(2-methylsulfonylethyl)phenyl]-1-[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]pentan-3-one
CID 159810448

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
The IUPAC name of 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one (CID 58541085) is 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one.
What is the SMILES notation for 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
The canonical SMILES for 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one is Cc1ccc(CCC(=O)C(C)c2ccc3n[nH]c(F)c3c2)c(N2CCC(C)CC2)n1.
What is the InChIKey of 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
The InChIKey is UAYNQGVMGZUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-15-10-12-29(13-11-15)24-18(5-4-16(2)26-24)7-9-22(30)17(3)19-6-8-21-20(14-19)23(25)28-27-21/h4-6,8,14-15,17H,7,9-13H2,1-3H3,(H,27,28).
What are the key properties of 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one?
4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one has a molecular weight of 408.52 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2H-indazol-5-yl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one is sourced from PubChem (CID 58541085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).