N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

C24H27FN6O2S — CID 163875563

IUPACN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H]2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1
InChIInChI=1S/C24H27FN6O2S/c1-3-9-30-16-22(14-26-30)34(32,33)28-20-8-10-29(15-20)23-12-18-13-27-31(24(18)11-17(23)2)21-6-4-19(25)5-7-21/h4-7,11-14,16,20,28H,3,8-10,15H2,1-2H3/t20-/m0/s1
InChIKeyPONXLWJXOKZLID-FQEVSTJZSA-N
MW482.59 g/mol
LogP3.64
Rot. Bonds7

About N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (PubChem CID 163875563) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
PubChem CID163875563
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H]2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1
InChIInChI=1S/C24H27FN6O2S/c1-3-9-30-16-22(14-26-30)34(32,33)28-20-8-10-29(15-20)23-12-18-13-27-31(24(18)11-17(23)2)21-6-4-19(25)5-7-21/h4-7,11-14,16,20,28H,3,8-10,15H2,1-2H3/t20-/m0/s1
InChIKeyPONXLWJXOKZLID-FQEVSTJZSA-N
XLogP3.64
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (CID 163875563) is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@H]2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1.
What is the InChIKey of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is PONXLWJXOKZLID-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN6O2S/c1-3-9-30-16-22(14-26-30)34(32,33)28-20-8-10-29(15-20)23-12-18-13-27-31(24(18)11-17(23)2)21-6-4-19(25)5-7-21/h4-7,11-14,16,20,28H,3,8-10,15H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 482.59 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 163875563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).