4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

C23H22FN5O2 — CID 66873578

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CNCCC2
InChIInChI=1S/C23H22FN5O2/c1-28-20-3-2-9-25-13-19(20)18-6-7-21(27-23(18)28)29-10-8-17(11-22(29)30)31-14-16-5-4-15(24)12-26-16/h4-8,10-12,25H,2-3,9,13-14H2,1H3
InChIKeyFVIVLTGPASJMCA-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.87
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (PubChem CID 66873578) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
PubChem CID66873578
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CNCCC2
InChIInChI=1S/C23H22FN5O2/c1-28-20-3-2-9-25-13-19(20)18-6-7-21(27-23(18)28)29-10-8-17(11-22(29)30)31-14-16-5-4-15(24)12-26-16/h4-8,10-12,25H,2-3,9,13-14H2,1H3
InChIKeyFVIVLTGPASJMCA-UHFFFAOYSA-N
XLogP2.87
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (CID 66873578) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[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-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CNCCC2.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The InChIKey is FVIVLTGPASJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-28-20-3-2-9-25-13-19(20)18-6-7-21(27-23(18)28)29-10-8-17(11-22(29)30)31-14-16-5-4-15(24)12-26-16/h4-8,10-12,25H,2-3,9,13-14H2,1H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one has a molecular weight of 419.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is sourced from PubChem (CID 66873578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).