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

C25H22FN3O3 — CID 76902829

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CC1CCCC3N1
InChIInChI=1S/C25H22FN3O3/c26-15-4-5-17(27-13-15)14-31-19-8-9-29(24(30)12-19)18-6-7-20-22(11-18)32-23-10-16-2-1-3-21(28-16)25(20)23/h4-9,11-13,16,21,28H,1-3,10,14H2
InChIKeyZTFWFRYOZFPBRP-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.44
Rot. Bonds4

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[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-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (PubChem CID 76902829) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[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-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
PubChem CID76902829
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CC1CCCC3N1
InChIInChI=1S/C25H22FN3O3/c26-15-4-5-17(27-13-15)14-31-19-8-9-29(24(30)12-19)18-6-7-20-22(11-18)32-23-10-16-2-1-3-21(28-16)25(20)23/h4-9,11-13,16,21,28H,1-3,10,14H2
InChIKeyZTFWFRYOZFPBRP-UHFFFAOYSA-N
XLogP4.44
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[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-oxa-16-azatetracyclo[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-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (CID 76902829) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[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-oxa-16-azatetracyclo[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-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CC1CCCC3N1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The InChIKey is ZTFWFRYOZFPBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c26-15-4-5-17(27-13-15)14-31-19-8-9-29(24(30)12-19)18-6-7-20-22(11-18)32-23-10-16-2-1-3-21(28-16)25(20)23/h4-9,11-13,16,21,28H,1-3,10,14H2.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[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-oxa-16-azatetracyclo[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 431.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-oxa-16-azatetracyclo[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 76902829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).