N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide

C21H25FN4O2S — CID 163929452

IUPACN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC[C@H](N(C)S(C)(=O)=O)C1
InChIInChI=1S/C21H25FN4O2S/c1-15-11-21-16(13-23-26(21)18-8-6-17(22)7-9-18)12-20(15)25-10-4-5-19(14-25)24(2)29(3,27)28/h6-9,11-13,19H,4-5,10,14H2,1-3H3/t19-/m0/s1
InChIKeyRHLUSFMXEUBXBO-IBGZPJMESA-N
MW416.52 g/mol
LogP3.33
Rot. Bonds4

About N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide

N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide (PubChem CID 163929452) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide
PubChem CID163929452
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC[C@H](N(C)S(C)(=O)=O)C1
InChIInChI=1S/C21H25FN4O2S/c1-15-11-21-16(13-23-26(21)18-8-6-17(22)7-9-18)12-20(15)25-10-4-5-19(14-25)24(2)29(3,27)28/h6-9,11-13,19H,4-5,10,14H2,1-3H3/t19-/m0/s1
InChIKeyRHLUSFMXEUBXBO-IBGZPJMESA-N
XLogP3.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]propyl]-2,4,6-trimethylbenzenesulfonamide
CID 53321440
N-[(2S)-1-[[1-(3-fluorophenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 53321913
N-[(2S)-1-[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 53323256
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 24825745
N-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010078
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010082
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010255
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 25010257
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]ethanesulfonamide
CID 25010599
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 25010600
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]ethanesulfonamide
CID 25010601
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]ethanesulfonamide
CID 44594372

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide (CID 163929452) is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC[C@H](N(C)S(C)(=O)=O)C1.
What is the InChIKey of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide?
The InChIKey is RHLUSFMXEUBXBO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-15-11-21-16(13-23-26(21)18-8-6-17(22)7-9-18)12-20(15)25-10-4-5-19(14-25)24(2)29(3,27)28/h6-9,11-13,19H,4-5,10,14H2,1-3H3/t19-/m0/s1.
What are the key properties of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide?
N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 163929452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).