6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C32H40FN3O3 — CID 23087462

IUPAC6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1ccc(OC)nc1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C32H40FN3O3/c1-3-36(22-23-7-13-30(28(33)19-23)39-18-17-35-15-5-4-6-16-35)29-12-14-31(38-2)34-32(29)26-9-8-25-21-27(37)11-10-24(25)20-26/h7,10-14,19,21,26,37H,3-6,8-9,15-18,20,22H2,1-2H3
InChIKeyZWWNPPBZGLSITQ-UHFFFAOYSA-N
MW533.69 g/mol
LogP6.10
Rot. Bonds10

About 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 23087462) has the molecular formula C32H40FN3O3 and a molecular weight of 533.69 g/mol. Its IUPAC name is 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID23087462
Molecular FormulaC32H40FN3O3
Molecular Weight533.69 g/mol
Exact Mass533.31
IUPAC Name6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1ccc(OC)nc1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C32H40FN3O3/c1-3-36(22-23-7-13-30(28(33)19-23)39-18-17-35-15-5-4-6-16-35)29-12-14-31(38-2)34-32(29)26-9-8-25-21-27(37)11-10-24(25)20-26/h7,10-14,19,21,26,37H,3-6,8-9,15-18,20,22H2,1-2H3
InChIKeyZWWNPPBZGLSITQ-UHFFFAOYSA-N
XLogP6.10
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.69
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-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 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 23087462) is 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(OCCN2CCCCC2)c(F)c1)c1ccc(OC)nc1C1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZWWNPPBZGLSITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN3O3/c1-3-36(22-23-7-13-30(28(33)19-23)39-18-17-35-15-5-4-6-16-35)29-12-14-31(38-2)34-32(29)26-9-8-25-21-27(37)11-10-24(25)20-26/h7,10-14,19,21,26,37H,3-6,8-9,15-18,20,22H2,1-2H3.
What are the key properties of 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 533.69 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[ethyl-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-6-methoxy-2-pyridinyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 23087462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).