N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide

C24H25FN4O2S — CID 67197774

IUPACN-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
SMILESC[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CNS(=O)(=O)Cc1cccnc1)CC2
InChIInChI=1S/C24H25FN4O2S/c1-16-22-14-27-29(21-8-6-20(25)7-9-21)23(22)11-18-4-5-19(24(16)18)13-28-32(30,31)15-17-3-2-10-26-12-17/h2-3,6-12,14,16,19,27-28H,4-5,13,15H2,1H3/t16-,19+/m0/s1
InChIKeyPZCYFYXBOQWUBS-QFBILLFUSA-N
MW452.56 g/mol
LogP3.79
Rot. Bonds6

About N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide

N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide (PubChem CID 67197774) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
PubChem CID67197774
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
SMILESC[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CNS(=O)(=O)Cc1cccnc1)CC2
InChIInChI=1S/C24H25FN4O2S/c1-16-22-14-27-29(21-8-6-20(25)7-9-21)23(22)11-18-4-5-19(24(16)18)13-28-32(30,31)15-17-3-2-10-26-12-17/h2-3,6-12,14,16,19,27-28H,4-5,13,15H2,1H3/t16-,19+/m0/s1
InChIKeyPZCYFYXBOQWUBS-QFBILLFUSA-N
XLogP3.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide with MolForge

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Related Compounds

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-4-pyrimidin-5-ylbut-3-yn-2-yl]acetamide
CID 68760728
1-benzyl-1-ethyl-3-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]urea
CID 68793523
N-(cyanomethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]naphthalene-1-sulfonamide
CID 87305194
(4R,5S)-1-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-N-phenyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazole-5-carboxamide
CID 66863170
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
CID 170285785
3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869443
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210

Frequently Asked Questions

What is the IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
The IUPAC name of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide (CID 67197774) is N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
The canonical SMILES for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide is C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CNS(=O)(=O)Cc1cccnc1)CC2.
What is the InChIKey of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
The InChIKey is PZCYFYXBOQWUBS-QFBILLFUSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-16-22-14-27-29(21-8-6-20(25)7-9-21)23(22)11-18-4-5-19(24(16)18)13-28-32(30,31)15-17-3-2-10-26-12-17/h2-3,6-12,14,16,19,27-28H,4-5,13,15H2,1H3/t16-,19+/m0/s1.
What are the key properties of N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide has a molecular weight of 452.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide is sourced from PubChem (CID 67197774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).