1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide

C25H32N8O3S — CID 16665452

IUPAC1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOc1ncc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)cn1
InChIInChI=1S/C25H32N8O3S/c1-16(31-37(34,35)24-17(2)30-32(18(24)3)19-8-5-6-9-19)12-26-22-10-7-11-23-21(22)15-29-33(23)20-13-27-25(36-4)28-14-20/h7,10-11,13-16,19,26,31H,5-6,8-9,12H2,1-4H3/t16-/m0/s1
InChIKeyDUPKBDGJOZGDOR-INIZCTEOSA-N
MW524.65 g/mol
LogP3.53
Rot. Bonds9

About 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide

1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 16665452) has the molecular formula C25H32N8O3S and a molecular weight of 524.65 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID16665452
Molecular FormulaC25H32N8O3S
Molecular Weight524.65 g/mol
Exact Mass524.23
IUPAC Name1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOc1ncc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)cn1
InChIInChI=1S/C25H32N8O3S/c1-16(31-37(34,35)24-17(2)30-32(18(24)3)19-8-5-6-9-19)12-26-22-10-7-11-23-21(22)15-29-33(23)20-13-27-25(36-4)28-14-20/h7,10-11,13-16,19,26,31H,5-6,8-9,12H2,1-4H3/t16-/m0/s1
InChIKeyDUPKBDGJOZGDOR-INIZCTEOSA-N
XLogP3.53
TPSA128.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide 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 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide (CID 16665452) is 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide is COc1ncc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)cn1.
What is the InChIKey of 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is DUPKBDGJOZGDOR-INIZCTEOSA-N. The full InChI is InChI=1S/C25H32N8O3S/c1-16(31-37(34,35)24-17(2)30-32(18(24)3)19-8-5-6-9-19)12-26-22-10-7-11-23-21(22)15-29-33(23)20-13-27-25(36-4)28-14-20/h7,10-11,13-16,19,26,31H,5-6,8-9,12H2,1-4H3/t16-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 524.65 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16665452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).