2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid

C30H37FN2O5 — CID 14983483

About 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid

2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid (PubChem CID 14983483) has the molecular formula C30H37FN2O5 and a molecular weight of 524.63 g/mol. Its IUPAC name is 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid
• PubChem CID: 14983483
• Molecular Formula: C30H37FN2O5
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.27
• IUPAC Name: 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid
• SMILES: CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
• InChI: InChI=1S/C30H37FN2O5/c1-19(6-5-7-20-8-10-22(31)11-9-20)21-14-25(37-18-28(35)36)29-23-16-33(17-27(34)32-4)13-12-24(23)30(2,3)38-26(29)15-21/h8-11,14-15,19H,5-7,12-13,16-18H2,1-4H3,(H,32,34)(H,35,36)
• InChIKey: XKOLIBBUGVTBIL-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid?

The IUPAC name of 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid (CID 14983483) is 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid.

What is the SMILES notation for 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid?

The canonical SMILES for 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid is CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C.

What is the InChIKey of 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid?

The InChIKey is XKOLIBBUGVTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN2O5/c1-19(6-5-7-20-8-10-22(31)11-9-20)21-14-25(37-18-28(35)36)29-23-16-33(17-27(34)32-4)13-12-24(23)30(2,3)38-26(29)15-21/h8-11,14-15,19H,5-7,12-13,16-18H2,1-4H3,(H,32,34)(H,35,36).

What are the key properties of 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid?

2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid has a molecular weight of 524.63 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]oxy]acetic acid is sourced from PubChem (CID 14983483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).