8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine

C32H37FN2O2 — CID 14983487

IUPAC8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine
SMILESCOc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2
InChIInChI=1S/C32H37FN2O2/c1-22(8-7-9-23-11-13-25(33)14-12-23)24-18-29(36-4)31-27-21-35(20-26-10-5-6-16-34-26)17-15-28(27)32(2,3)37-30(31)19-24/h5-6,10-14,16,18-19,22H,7-9,15,17,20-21H2,1-4H3
InChIKeyLOXUUVJTKHHJKI-UHFFFAOYSA-N
MW500.66 g/mol
LogP7.19
Rot. Bonds8

About 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine

8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine (PubChem CID 14983487) has the molecular formula C32H37FN2O2 and a molecular weight of 500.66 g/mol. Its IUPAC name is 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine.

Molecular Properties

Compound Name8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine
PubChem CID14983487
Molecular FormulaC32H37FN2O2
Molecular Weight500.66 g/mol
Exact Mass500.28
IUPAC Name8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine
SMILESCOc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2
InChIInChI=1S/C32H37FN2O2/c1-22(8-7-9-23-11-13-25(33)14-12-23)24-18-29(36-4)31-27-21-35(20-26-10-5-6-16-34-26)17-15-28(27)32(2,3)37-30(31)19-24/h5-6,10-14,16,18-19,22H,7-9,15,17,20-21H2,1-4H3
InChIKeyLOXUUVJTKHHJKI-UHFFFAOYSA-N
XLogP7.19
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine?
The IUPAC name of 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine (CID 14983487) is 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine.
What is the SMILES notation for 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine?
The canonical SMILES for 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine is COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2.
What is the InChIKey of 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine?
The InChIKey is LOXUUVJTKHHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O2/c1-22(8-7-9-23-11-13-25(33)14-12-23)24-18-29(36-4)31-27-21-35(20-26-10-5-6-16-34-26)17-15-28(27)32(2,3)37-30(31)19-24/h5-6,10-14,16,18-19,22H,7-9,15,17,20-21H2,1-4H3.
What are the key properties of 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine?
8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine has a molecular weight of 500.66 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-chromeno[4,3-c]pyridine is sourced from PubChem (CID 14983487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).