4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

C25H24FN5O2 — CID 50902101

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCC(C2)N1
InChIInChI=1S/C25H24FN5O2/c1-30-21-11-16-3-2-4-20(28-16)24(21)19-7-8-22(29-25(19)30)31-10-9-18(12-23(31)32)33-14-17-6-5-15(26)13-27-17/h5-10,12-13,16,20,28H,2-4,11,14H2,1H3
InChIKeyDKOBXVCFOQJIJE-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.58
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (PubChem CID 50902101) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
PubChem CID50902101
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCC(C2)N1
InChIInChI=1S/C25H24FN5O2/c1-30-21-11-16-3-2-4-20(28-16)24(21)19-7-8-22(29-25(19)30)31-10-9-18(12-23(31)32)33-14-17-6-5-15(26)13-27-17/h5-10,12-13,16,20,28H,2-4,11,14H2,1H3
InChIKeyDKOBXVCFOQJIJE-UHFFFAOYSA-N
XLogP3.58
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-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-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (CID 50902101) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCC(C2)N1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The InChIKey is DKOBXVCFOQJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-30-21-11-16-3-2-4-20(28-16)24(21)19-7-8-22(29-25(19)30)31-10-9-18(12-23(31)32)33-14-17-6-5-15(26)13-27-17/h5-10,12-13,16,20,28H,2-4,11,14H2,1H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one has a molecular weight of 445.50 g/mol, XLogP of 3.58, 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-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is sourced from PubChem (CID 50902101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).