N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide

C31H31FN6O4S — CID 126642992

IUPACN-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2CCNS(=O)(=O)c2ccccc2)c2ccc(-c3cnc4cc(C)nn4c3)cc12
InChIInChI=1S/C31H31FN6O4S/c1-20-12-30-33-15-23(16-38(30)35-20)22-8-9-29-27(13-22)28(21(2)39)18-36(29)19-31(40)37-17-24(32)14-25(37)10-11-34-43(41,42)26-6-4-3-5-7-26/h3-9,12-13,15-16,18,24-25,34H,10-11,14,17,19H2,1-2H3/t24-,25-/m1/s1
InChIKeyKNPPRNDFSBROEV-JWQCQUIFSA-N
MW602.69 g/mol
LogP4.17
Rot. Bonds9

About N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide

N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide (PubChem CID 126642992) has the molecular formula C31H31FN6O4S and a molecular weight of 602.69 g/mol. Its IUPAC name is N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide
PubChem CID126642992
Molecular FormulaC31H31FN6O4S
Molecular Weight602.69 g/mol
Exact Mass602.21
IUPAC NameN-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2CCNS(=O)(=O)c2ccccc2)c2ccc(-c3cnc4cc(C)nn4c3)cc12
InChIInChI=1S/C31H31FN6O4S/c1-20-12-30-33-15-23(16-38(30)35-20)22-8-9-29-27(13-22)28(21(2)39)18-36(29)19-31(40)37-17-24(32)14-25(37)10-11-34-43(41,42)26-6-4-3-5-7-26/h3-9,12-13,15-16,18,24-25,34H,10-11,14,17,19H2,1-2H3/t24-,25-/m1/s1
InChIKeyKNPPRNDFSBROEV-JWQCQUIFSA-N
XLogP4.17
TPSA118.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.69
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide (CID 126642992) is N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide is CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2CCNS(=O)(=O)c2ccccc2)c2ccc(-c3cnc4cc(C)nn4c3)cc12.
What is the InChIKey of N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide?
The InChIKey is KNPPRNDFSBROEV-JWQCQUIFSA-N. The full InChI is InChI=1S/C31H31FN6O4S/c1-20-12-30-33-15-23(16-38(30)35-20)22-8-9-29-27(13-22)28(21(2)39)18-36(29)19-31(40)37-17-24(32)14-25(37)10-11-34-43(41,42)26-6-4-3-5-7-26/h3-9,12-13,15-16,18,24-25,34H,10-11,14,17,19H2,1-2H3/t24-,25-/m1/s1.
What are the key properties of N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide?
N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide has a molecular weight of 602.69 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 126642992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).