1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol

C29H43F3N6O3S2 — CID 46884337

IUPAC1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
SMILESCN1CCN(CC(O)Cn2nc(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1
InChIInChI=1S/C29H43F3N6O3S2/c1-34-12-14-36(15-13-34)19-23(39)20-38-26-8-11-37(43(2,40)41)21-24(26)28(33-38)22-6-7-25(29(30,31)32)27(18-22)42-17-16-35-9-4-3-5-10-35/h6-7,18,23,39H,3-5,8-17,19-21H2,1-2H3
InChIKeyIEPCBHZDYJWTME-UHFFFAOYSA-N
MW644.83 g/mol
LogP3.07
Rot. Bonds10

About 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol

1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol (PubChem CID 46884337) has the molecular formula C29H43F3N6O3S2 and a molecular weight of 644.83 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
PubChem CID46884337
Molecular FormulaC29H43F3N6O3S2
Molecular Weight644.83 g/mol
Exact Mass644.28
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
SMILESCN1CCN(CC(O)Cn2nc(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1
InChIInChI=1S/C29H43F3N6O3S2/c1-34-12-14-36(15-13-34)19-23(39)20-38-26-8-11-37(43(2,40)41)21-24(26)28(33-38)22-6-7-25(29(30,31)32)27(18-22)42-17-16-35-9-4-3-5-10-35/h6-7,18,23,39H,3-5,8-17,19-21H2,1-2H3
InChIKeyIEPCBHZDYJWTME-UHFFFAOYSA-N
XLogP3.07
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol (CID 46884337) is 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol is CN1CCN(CC(O)Cn2nc(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The InChIKey is IEPCBHZDYJWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43F3N6O3S2/c1-34-12-14-36(15-13-34)19-23(39)20-38-26-8-11-37(43(2,40)41)21-24(26)28(33-38)22-6-7-25(29(30,31)32)27(18-22)42-17-16-35-9-4-3-5-10-35/h6-7,18,23,39H,3-5,8-17,19-21H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol has a molecular weight of 644.83 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 46884337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).