1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one

C23H18F3N3O3 — CID 76902245

IUPAC1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c(oc2c1)CCNC3
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)21-4-1-14(11-28-21)13-31-16-6-8-29(22(30)10-16)15-2-3-17-18-12-27-7-5-19(18)32-20(17)9-15/h1-4,6,8-11,27H,5,7,12-13H2
InChIKeyZNZYLMSEKAAVOV-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.22
Rot. Bonds4

About 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one

1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one (PubChem CID 76902245) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
PubChem CID76902245
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c(oc2c1)CCNC3
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)21-4-1-14(11-28-21)13-31-16-6-8-29(22(30)10-16)15-2-3-17-18-12-27-7-5-19(18)32-20(17)9-15/h1-4,6,8-11,27H,5,7,12-13H2
InChIKeyZNZYLMSEKAAVOV-UHFFFAOYSA-N
XLogP4.22
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The IUPAC name of 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one (CID 76902245) is 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one.
What is the SMILES notation for 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The canonical SMILES for 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one is O=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c(oc2c1)CCNC3.
What is the InChIKey of 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The InChIKey is ZNZYLMSEKAAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c24-23(25,26)21-4-1-14(11-28-21)13-31-16-6-8-29(22(30)10-16)15-2-3-17-18-12-27-7-5-19(18)32-20(17)9-15/h1-4,6,8-11,27H,5,7,12-13H2.
What are the key properties of 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one has a molecular weight of 441.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one is sourced from PubChem (CID 76902245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).