3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol

C23H31N5OS — CID 71020058

IUPAC3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3ccsc13)C2N1CCN(C)CC1
InChIInChI=1S/C23H31N5OS/c1-4-23(29,5-2)15-6-7-16-18(14-15)24-19(20-22-17(25-26-20)8-13-30-22)21(16)28-11-9-27(3)10-12-28/h6-8,13-14,19,21,24,29H,4-5,9-12H2,1-3H3,(H,25,26)
InChIKeyVFYFFYHTEBFNSJ-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.09
Rot. Bonds5

About 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol

3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol (PubChem CID 71020058) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
PubChem CID71020058
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC Name3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3ccsc13)C2N1CCN(C)CC1
InChIInChI=1S/C23H31N5OS/c1-4-23(29,5-2)15-6-7-16-18(14-15)24-19(20-22-17(25-26-20)8-13-30-22)21(16)28-11-9-27(3)10-12-28/h6-8,13-14,19,21,24,29H,4-5,9-12H2,1-3H3,(H,25,26)
InChIKeyVFYFFYHTEBFNSJ-UHFFFAOYSA-N
XLogP4.09
TPSA67.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol 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 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol (CID 71020058) is 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol is CCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3ccsc13)C2N1CCN(C)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The InChIKey is VFYFFYHTEBFNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-4-23(29,5-2)15-6-7-16-18(14-15)24-19(20-22-17(25-26-20)8-13-30-22)21(16)28-11-9-27(3)10-12-28/h6-8,13-14,19,21,24,29H,4-5,9-12H2,1-3H3,(H,25,26).
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol has a molecular weight of 425.60 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)-2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol is sourced from PubChem (CID 71020058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).