4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

C23H21F2N5O2 — CID 58093391

IUPAC4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[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)CCNCC2
InChIInChI=1S/C23H21F2N5O2/c1-29-20-5-8-26-7-4-16(20)17-2-3-21(28-23(17)29)30-9-6-15(11-22(30)31)32-13-19-18(25)10-14(24)12-27-19/h2-3,6,9-12,26H,4-5,7-8,13H2,1H3
InChIKeyCWIKMAXXNBJOFA-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.66
Rot. Bonds4

About 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[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-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (PubChem CID 58093391) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[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-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
PubChem CID58093391
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC Name4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[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)CCNCC2
InChIInChI=1S/C23H21F2N5O2/c1-29-20-5-8-26-7-4-16(20)17-2-3-21(28-23(17)29)30-9-6-15(11-22(30)31)32-13-19-18(25)10-14(24)12-27-19/h2-3,6,9-12,26H,4-5,7-8,13H2,1H3
InChIKeyCWIKMAXXNBJOFA-UHFFFAOYSA-N
XLogP2.66
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-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-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[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-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (CID 58093391) is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-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-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[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-6,8,12-triazatricyclo[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)CCNCC2.
What is the InChIKey of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The InChIKey is CWIKMAXXNBJOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-29-20-5-8-26-7-4-16(20)17-2-3-21(28-23(17)29)30-9-6-15(11-22(30)31)32-13-19-18(25)10-14(24)12-27-19/h2-3,6,9-12,26H,4-5,7-8,13H2,1H3.
What are the key properties of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[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-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one has a molecular weight of 437.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is sourced from PubChem (CID 58093391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).