4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

C24H22F2N4O2 — CID 58093357

IUPAC4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CCCCC2
InChIInChI=1S/C24H22F2N4O2/c1-29-21-6-4-2-3-5-17(21)18-7-8-22(28-24(18)29)30-10-9-16(12-23(30)31)32-14-20-19(26)11-15(25)13-27-20/h7-13H,2-6,14H2,1H3
InChIKeyLXOAAPWRQJITGT-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.25
Rot. Bonds4

About 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (PubChem CID 58093357) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
PubChem CID58093357
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CCCCC2
InChIInChI=1S/C24H22F2N4O2/c1-29-21-6-4-2-3-5-17(21)18-7-8-22(28-24(18)29)30-10-9-16(12-23(30)31)32-14-20-19(26)11-15(25)13-27-20/h7-13H,2-6,14H2,1H3
InChIKeyLXOAAPWRQJITGT-UHFFFAOYSA-N
XLogP4.25
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (CID 58093357) is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one.
What is the SMILES notation for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The canonical SMILES for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CCCCC2.
What is the InChIKey of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The InChIKey is LXOAAPWRQJITGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-29-21-6-4-2-3-5-17(21)18-7-8-22(28-24(18)29)30-10-9-16(12-23(30)31)32-14-20-19(26)11-15(25)13-27-20/h7-13H,2-6,14H2,1H3.
What are the key properties of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one has a molecular weight of 436.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is sourced from PubChem (CID 58093357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).