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

C24H21FN4O2 — CID 58092218

IUPAC1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
InChIInChI=1S/C24H21FN4O2/c25-14-1-2-16(26-12-14)13-31-18-7-8-29(23(30)11-18)17-4-5-19-21(10-17)28-22-9-15-3-6-20(27-15)24(19)22/h1-2,4-5,7-8,10-12,15,20,27-28H,3,6,9,13H2
InChIKeyQBZDRCQBGMITBW-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.78
Rot. Bonds4

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

1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 58092218) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
PubChem CID58092218
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1
InChIInChI=1S/C24H21FN4O2/c25-14-1-2-16(26-12-14)13-31-18-7-8-29(23(30)11-18)17-4-5-19-21(10-17)28-22-9-15-3-6-20(27-15)24(19)22/h1-2,4-5,7-8,10-12,15,20,27-28H,3,6,9,13H2
InChIKeyQBZDRCQBGMITBW-UHFFFAOYSA-N
XLogP3.78
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The IUPAC name of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (CID 58092218) is 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1.
What is the InChIKey of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
The InChIKey is QBZDRCQBGMITBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-14-1-2-16(26-12-14)13-31-18-7-8-29(23(30)11-18)17-4-5-19-21(10-17)28-22-9-15-3-6-20(27-15)24(19)22/h1-2,4-5,7-8,10-12,15,20,27-28H,3,6,9,13H2.
What are the key properties of 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?
1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 416.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 58092218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).