(8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one

C24H19FN6O2 — CID 142411946

IUPAC(8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one
SMILESO=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2cc(F)c(-c3ccncc3)cc21
InChIInChI=1S/C24H19FN6O2/c25-19-14-21-18(13-17(19)16-7-9-26-10-8-16)24(32)29-22-6-4-5-20(28-22)23-30-27-15-31(23)11-2-1-3-12-33-21/h1-2,4-10,13-15H,3,11-12H2,(H,28,29,32)/b2-1-
InChIKeyOWNQIUOQSOYJKB-UPHRSURJSA-N
MW442.45 g/mol
LogP4.13
Rot. Bonds1

About (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one

(8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one (PubChem CID 142411946) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one.

Molecular Properties

Compound Name(8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one
PubChem CID142411946
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name(8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one
SMILESO=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2cc(F)c(-c3ccncc3)cc21
InChIInChI=1S/C24H19FN6O2/c25-19-14-21-18(13-17(19)16-7-9-26-10-8-16)24(32)29-22-6-4-5-20(28-22)23-30-27-15-31(23)11-2-1-3-12-33-21/h1-2,4-10,13-15H,3,11-12H2,(H,28,29,32)/b2-1-
InChIKeyOWNQIUOQSOYJKB-UPHRSURJSA-N
XLogP4.13
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one?
The IUPAC name of (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one (CID 142411946) is (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one.
What is the SMILES notation for (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one?
The canonical SMILES for (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one is O=C1Nc2cccc(n2)-c2nncn2C/C=C\CCOc2cc(F)c(-c3ccncc3)cc21.
What is the InChIKey of (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one?
The InChIKey is OWNQIUOQSOYJKB-UPHRSURJSA-N. The full InChI is InChI=1S/C24H19FN6O2/c25-19-14-21-18(13-17(19)16-7-9-26-10-8-16)24(32)29-22-6-4-5-20(28-22)23-30-27-15-31(23)11-2-1-3-12-33-21/h1-2,4-10,13-15H,3,11-12H2,(H,28,29,32)/b2-1-.
What are the key properties of (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one?
(8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one has a molecular weight of 442.45 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-15-fluoro-16-pyridin-4-yl-12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,8,13(18),14,16,21,23-nonaen-19-one is sourced from PubChem (CID 142411946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).