2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

C28H35FN2O3 — CID 14983494

IUPAC2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
InChIInChI=1S/C28H35FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27-22-16-31(17-26(33)30-4)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18,32H,5-7,12-13,16-17H2,1-4H3,(H,30,33)
InChIKeyKTSDDLBDDUMCFW-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.03
Rot. Bonds7

About 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (PubChem CID 14983494) has the molecular formula C28H35FN2O3 and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
PubChem CID14983494
Molecular FormulaC28H35FN2O3
Molecular Weight466.60 g/mol
Exact Mass466.26
IUPAC Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
InChIInChI=1S/C28H35FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27-22-16-31(17-26(33)30-4)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18,32H,5-7,12-13,16-17H2,1-4H3,(H,30,33)
InChIKeyKTSDDLBDDUMCFW-UHFFFAOYSA-N
XLogP5.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide 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-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (CID 14983494) is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C.
What is the InChIKey of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The InChIKey is KTSDDLBDDUMCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27-22-16-31(17-26(33)30-4)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18,32H,5-7,12-13,16-17H2,1-4H3,(H,30,33).
What are the key properties of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide has a molecular weight of 466.60 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is sourced from PubChem (CID 14983494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).