1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide

C26H30FN5O3S — CID 16665685

IUPAC1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C26H30FN5O3S/c1-17(30-36(33,34)26-18(2)29-31(19(26)3)21-7-4-5-8-21)16-35-25-10-6-9-24-23(25)15-28-32(24)22-13-11-20(27)12-14-22/h6,9-15,17,21,30H,4-5,7-8,16H2,1-3H3/t17-/m0/s1
InChIKeyIQHXWIQATRUEJK-KRWDZBQOSA-N
MW511.62 g/mol
LogP4.84
Rot. Bonds8

About 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide

1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 16665685) has the molecular formula C26H30FN5O3S and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID16665685
Molecular FormulaC26H30FN5O3S
Molecular Weight511.62 g/mol
Exact Mass511.21
IUPAC Name1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C26H30FN5O3S/c1-17(30-36(33,34)26-18(2)29-31(19(26)3)21-7-4-5-8-21)16-35-25-10-6-9-24-23(25)15-28-32(24)22-13-11-20(27)12-14-22/h6,9-15,17,21,30H,4-5,7-8,16H2,1-3H3/t17-/m0/s1
InChIKeyIQHXWIQATRUEJK-KRWDZBQOSA-N
XLogP4.84
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide (CID 16665685) is 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is IQHXWIQATRUEJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H30FN5O3S/c1-17(30-36(33,34)26-18(2)29-31(19(26)3)21-7-4-5-8-21)16-35-25-10-6-9-24-23(25)15-28-32(24)22-13-11-20(27)12-14-22/h6,9-15,17,21,30H,4-5,7-8,16H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 511.62 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16665685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).