4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

C24H22FN5O2 — CID 50902182

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C24H22FN5O2/c1-29-20-10-15-4-6-19(27-15)23(20)18-5-7-21(28-24(18)29)30-9-8-17(11-22(30)31)32-13-16-3-2-14(25)12-26-16/h2-3,5,7-9,11-12,15,19,27H,4,6,10,13H2,1H3
InChIKeyIWAXJAXOICJNEI-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.19
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (PubChem CID 50902182) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
PubChem CID50902182
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C24H22FN5O2/c1-29-20-10-15-4-6-19(27-15)23(20)18-5-7-21(28-24(18)29)30-9-8-17(11-22(30)31)32-13-16-3-2-14(25)12-26-16/h2-3,5,7-9,11-12,15,19,27H,4,6,10,13H2,1H3
InChIKeyIWAXJAXOICJNEI-UHFFFAOYSA-N
XLogP3.19
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-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-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-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-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (CID 50902182) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-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-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-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-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCC(C2)N1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The InChIKey is IWAXJAXOICJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-29-20-10-15-4-6-19(27-15)23(20)18-5-7-21(28-24(18)29)30-9-8-17(11-22(30)31)32-13-16-3-2-14(25)12-26-16/h2-3,5,7-9,11-12,15,19,27H,4,6,10,13H2,1H3.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one has a molecular weight of 431.47 g/mol, XLogP of 3.19, 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-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is sourced from PubChem (CID 50902182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).