4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one

C25H24FN3O3 — CID 90201232

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
SMILESCC(C)N1CCc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1
InChIInChI=1S/C25H24FN3O3/c1-16(2)28-9-8-23-22(14-28)21-6-5-19(11-24(21)32-23)29-10-7-20(12-25(29)30)31-15-18-4-3-17(26)13-27-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3
InChIKeySCEKCVICCJIOAK-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.46
Rot. Bonds5

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one (PubChem CID 90201232) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
PubChem CID90201232
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
SMILESCC(C)N1CCc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1
InChIInChI=1S/C25H24FN3O3/c1-16(2)28-9-8-23-22(14-28)21-6-5-19(11-24(21)32-23)29-10-7-20(12-25(29)30)31-15-18-4-3-17(26)13-27-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3
InChIKeySCEKCVICCJIOAK-UHFFFAOYSA-N
XLogP4.46
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one (CID 90201232) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one is CC(C)N1CCc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The InChIKey is SCEKCVICCJIOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-16(2)28-9-8-23-22(14-28)21-6-5-19(11-24(21)32-23)29-10-7-20(12-25(29)30)31-15-18-4-3-17(26)13-27-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one has a molecular weight of 433.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one is sourced from PubChem (CID 90201232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).