(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol

C26H33N5O3S — CID 95250146

IUPAC(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCc1nn(C[C@H](O)CN2CCN(c3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C26H33N5O3S/c1-20-26(35(33,34)31-13-12-22-8-6-7-11-25(22)31)21(2)30(27-20)19-24(32)18-28-14-16-29(17-15-28)23-9-4-3-5-10-23/h3-11,24,32H,12-19H2,1-2H3/t24-/m1/s1
InChIKeyPJKDOCJUXJZHFT-XMMPIXPASA-N
MW495.65 g/mol
LogP2.43
Rot. Bonds7

About (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol

(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 95250146) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID95250146
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Name(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCc1nn(C[C@H](O)CN2CCN(c3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C26H33N5O3S/c1-20-26(35(33,34)31-13-12-22-8-6-7-11-25(22)31)21(2)30(27-20)19-24(32)18-28-14-16-29(17-15-28)23-9-4-3-5-10-23/h3-11,24,32H,12-19H2,1-2H3/t24-/m1/s1
InChIKeyPJKDOCJUXJZHFT-XMMPIXPASA-N
XLogP2.43
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-2,3-dihydroindole
CID 9381782
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 126774260
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51483463
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17394458
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
4-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 17394468
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
CID 53314219
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol
CID 63944869
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
CID 102747623

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 95250146) is (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol is Cc1nn(C[C@H](O)CN2CCN(c3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is PJKDOCJUXJZHFT-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-20-26(35(33,34)31-13-12-22-8-6-7-11-25(22)31)21(2)30(27-20)19-24(32)18-28-14-16-29(17-15-28)23-9-4-3-5-10-23/h3-11,24,32H,12-19H2,1-2H3/t24-/m1/s1.
What are the key properties of (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol?
(2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 495.65 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 95250146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).