2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone

C34H42F3N5O4S — CID 46884506

IUPAC2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccccc1C1CCN(CC(O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)c3c2CCNC3)CC1
InChIInChI=1S/C34H42F3N5O4S/c1-45-30-5-3-2-4-26(30)23-9-12-40(13-10-23)20-25(43)21-42-29-8-11-38-19-27(29)33(39-42)24-6-7-28(34(35,36)37)31(18-24)47-22-32(44)41-14-16-46-17-15-41/h2-7,18,23,25,38,43H,8-17,19-22H2,1H3
InChIKeyZUZALNURNUOFEB-UHFFFAOYSA-N
MW673.80 g/mol
LogP4.41
Rot. Bonds10

About 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone

2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 46884506) has the molecular formula C34H42F3N5O4S and a molecular weight of 673.80 g/mol. Its IUPAC name is 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID46884506
Molecular FormulaC34H42F3N5O4S
Molecular Weight673.80 g/mol
Exact Mass673.29
IUPAC Name2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccccc1C1CCN(CC(O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)c3c2CCNC3)CC1
InChIInChI=1S/C34H42F3N5O4S/c1-45-30-5-3-2-4-26(30)23-9-12-40(13-10-23)20-25(43)21-42-29-8-11-38-19-27(29)33(39-42)24-6-7-28(34(35,36)37)31(18-24)47-22-32(44)41-14-16-46-17-15-41/h2-7,18,23,25,38,43H,8-17,19-22H2,1H3
InChIKeyZUZALNURNUOFEB-UHFFFAOYSA-N
XLogP4.41
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500673.80
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone 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 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone (CID 46884506) is 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone is COc1ccccc1C1CCN(CC(O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)c3c2CCNC3)CC1.
What is the InChIKey of 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is ZUZALNURNUOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F3N5O4S/c1-45-30-5-3-2-4-26(30)23-9-12-40(13-10-23)20-25(43)21-42-29-8-11-38-19-27(29)33(39-42)24-6-7-28(34(35,36)37)31(18-24)47-22-32(44)41-14-16-46-17-15-41/h2-7,18,23,25,38,43H,8-17,19-22H2,1H3.
What are the key properties of 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 673.80 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 46884506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).