1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol

C32H39FN2O2 — CID 59678054

IUPAC1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol
SMILESCCC(O)c1c(F)cccc1-c1cc(OC2CCCC2)c(CN(C)C2CCCc3ccccc32)c(C)n1
InChIInChI=1S/C32H39FN2O2/c1-4-30(36)32-25(16-10-17-27(32)33)28-19-31(37-23-13-6-7-14-23)26(21(2)34-28)20-35(3)29-18-9-12-22-11-5-8-15-24(22)29/h5,8,10-11,15-17,19,23,29-30,36H,4,6-7,9,12-14,18,20H2,1-3H3
InChIKeyFCYZOUOEPVHARJ-UHFFFAOYSA-N
MW502.67 g/mol
LogP7.47
Rot. Bonds8

About 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol

1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol (PubChem CID 59678054) has the molecular formula C32H39FN2O2 and a molecular weight of 502.67 g/mol. Its IUPAC name is 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol
PubChem CID59678054
Molecular FormulaC32H39FN2O2
Molecular Weight502.67 g/mol
Exact Mass502.30
IUPAC Name1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol
SMILESCCC(O)c1c(F)cccc1-c1cc(OC2CCCC2)c(CN(C)C2CCCc3ccccc32)c(C)n1
InChIInChI=1S/C32H39FN2O2/c1-4-30(36)32-25(16-10-17-27(32)33)28-19-31(37-23-13-6-7-14-23)26(21(2)34-28)20-35(3)29-18-9-12-22-11-5-8-15-24(22)29/h5,8,10-11,15-17,19,23,29-30,36H,4,6-7,9,12-14,18,20H2,1-3H3
InChIKeyFCYZOUOEPVHARJ-UHFFFAOYSA-N
XLogP7.47
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-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-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol?
The IUPAC name of 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol (CID 59678054) is 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol?
The canonical SMILES for 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol is CCC(O)c1c(F)cccc1-c1cc(OC2CCCC2)c(CN(C)C2CCCc3ccccc32)c(C)n1.
What is the InChIKey of 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol?
The InChIKey is FCYZOUOEPVHARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN2O2/c1-4-30(36)32-25(16-10-17-27(32)33)28-19-31(37-23-13-6-7-14-23)26(21(2)34-28)20-35(3)29-18-9-12-22-11-5-8-15-24(22)29/h5,8,10-11,15-17,19,23,29-30,36H,4,6-7,9,12-14,18,20H2,1-3H3.
What are the key properties of 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol?
1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol has a molecular weight of 502.67 g/mol, XLogP of 7.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol is sourced from PubChem (CID 59678054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).