4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one

C32H34F2N2O4S — CID 170335095

IUPAC4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2sc(C(=O)N3CCC(C)(F)CC3)cc12
InChIInChI=1S/C32H34F2N2O4S/c1-18-13-21(33)14-19(2)27(18)40-25-8-7-20(31(3,4)39)15-22(25)24-17-35(6)30(38)28-23(24)16-26(41-28)29(37)36-11-9-32(5,34)10-12-36/h7-8,13-17,39H,9-12H2,1-6H3
InChIKeyLMOFANSSLIZETP-UHFFFAOYSA-N
MW580.70 g/mol
LogP7.01
Rot. Bonds5

About 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one (PubChem CID 170335095) has the molecular formula C32H34F2N2O4S and a molecular weight of 580.70 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
PubChem CID170335095
Molecular FormulaC32H34F2N2O4S
Molecular Weight580.70 g/mol
Exact Mass580.22
IUPAC Name4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2sc(C(=O)N3CCC(C)(F)CC3)cc12
InChIInChI=1S/C32H34F2N2O4S/c1-18-13-21(33)14-19(2)27(18)40-25-8-7-20(31(3,4)39)15-22(25)24-17-35(6)30(38)28-23(24)16-26(41-28)29(37)36-11-9-32(5,34)10-12-36/h7-8,13-17,39H,9-12H2,1-6H3
InChIKeyLMOFANSSLIZETP-UHFFFAOYSA-N
XLogP7.01
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one (CID 170335095) is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2sc(C(=O)N3CCC(C)(F)CC3)cc12.
What is the InChIKey of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?
The InChIKey is LMOFANSSLIZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N2O4S/c1-18-13-21(33)14-19(2)27(18)40-25-8-7-20(31(3,4)39)15-22(25)24-17-35(6)30(38)28-23(24)16-26(41-28)29(37)36-11-9-32(5,34)10-12-36/h7-8,13-17,39H,9-12H2,1-6H3.
What are the key properties of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one?
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one has a molecular weight of 580.70 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 170335095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).