15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C24H27FN6O2 — CID 142411940

IUPAC15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCN1CCC(c2cc3c(cc2F)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1
InChIInChI=1S/C24H27FN6O2/c1-30-10-7-16(8-11-30)17-14-21-18(13-19(17)25)24(32)28-22-6-4-5-20(27-22)23-29-26-15-31(23)9-2-3-12-33-21/h4-6,13-16H,2-3,7-12H2,1H3,(H,27,28,32)
InChIKeyXQHLLFTZDRFVRI-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.71
Rot. Bonds1

About 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 142411940) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID142411940
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCN1CCC(c2cc3c(cc2F)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1
InChIInChI=1S/C24H27FN6O2/c1-30-10-7-16(8-11-30)17-14-21-18(13-19(17)25)24(32)28-22-6-4-5-20(27-22)23-29-26-15-31(23)9-2-3-12-33-21/h4-6,13-16H,2-3,7-12H2,1H3,(H,27,28,32)
InChIKeyXQHLLFTZDRFVRI-UHFFFAOYSA-N
XLogP3.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 142411940) is 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is CN1CCC(c2cc3c(cc2F)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1.
What is the InChIKey of 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is XQHLLFTZDRFVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-30-10-7-16(8-11-30)17-14-21-18(13-19(17)25)24(32)28-22-6-4-5-20(27-22)23-29-26-15-31(23)9-2-3-12-33-21/h4-6,13-16H,2-3,7-12H2,1H3,(H,27,28,32).
What are the key properties of 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 450.52 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 142411940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).