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;hydrochloride

C25H25ClFN3O3 — CID 90201231

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;hydrochloride
SMILESCC(C)N1CCc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1.Cl
InChIInChI=1S/C25H24FN3O3.ClH/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;1H
InChIKeyGWOZZOVYVCRPDH-UHFFFAOYSA-N
MW469.94 g/mol
LogP4.89
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;hydrochloride

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;hydrochloride (PubChem CID 90201231) has the molecular formula C25H25ClFN3O3 and a molecular weight of 469.94 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;hydrochloride.

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;hydrochloride
PubChem CID90201231
Molecular FormulaC25H25ClFN3O3
Molecular Weight469.94 g/mol
Exact Mass469.16
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;hydrochloride
SMILESCC(C)N1CCc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1.Cl
InChIInChI=1S/C25H24FN3O3.ClH/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;1H
InChIKeyGWOZZOVYVCRPDH-UHFFFAOYSA-N
XLogP4.89
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.94
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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;hydrochloride with MolForge

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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;hydrochloride?
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;hydrochloride (CID 90201231) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CC(C)N1CCc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2C1.Cl.
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;hydrochloride?
The InChIKey is GWOZZOVYVCRPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3.ClH/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;1H.
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;hydrochloride?
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;hydrochloride has a molecular weight of 469.94 g/mol, XLogP of 4.89, 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;hydrochloride is sourced from PubChem (CID 90201231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).