N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide

C29H32FN3O3S — CID 71096625

IUPACN-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide
SMILESCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccccc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C29H32FN3O3S/c1-28-17-22-18-31-33(25-8-6-24(30)7-9-25)27(22)16-23(28)13-15-29(28,34)14-12-20-4-2-3-5-21(20)19-32-37(35,36)26-10-11-26/h2-9,16,18,26,32,34H,10-15,17,19H2,1H3/t28?,29-/m0/s1
InChIKeyKNYHGVVYDBLMCC-XIJSCUBXSA-N
MW521.66 g/mol
LogP4.70
Rot. Bonds8

About N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide

N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide (PubChem CID 71096625) has the molecular formula C29H32FN3O3S and a molecular weight of 521.66 g/mol. Its IUPAC name is N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide
PubChem CID71096625
Molecular FormulaC29H32FN3O3S
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC NameN-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide
SMILESCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccccc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C29H32FN3O3S/c1-28-17-22-18-31-33(25-8-6-24(30)7-9-25)27(22)16-23(28)13-15-29(28,34)14-12-20-4-2-3-5-21(20)19-32-37(35,36)26-10-11-26/h2-9,16,18,26,32,34H,10-15,17,19H2,1H3/t28?,29-/m0/s1
InChIKeyKNYHGVVYDBLMCC-XIJSCUBXSA-N
XLogP4.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.66
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide (CID 71096625) is N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide is CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccccc1CNS(=O)(=O)C1CC1.
What is the InChIKey of N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide?
The InChIKey is KNYHGVVYDBLMCC-XIJSCUBXSA-N. The full InChI is InChI=1S/C29H32FN3O3S/c1-28-17-22-18-31-33(25-8-6-24(30)7-9-25)27(22)16-23(28)13-15-29(28,34)14-12-20-4-2-3-5-21(20)19-32-37(35,36)26-10-11-26/h2-9,16,18,26,32,34H,10-15,17,19H2,1H3/t28?,29-/m0/s1.
What are the key properties of N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide?
N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide has a molecular weight of 521.66 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]phenyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 71096625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).