15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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

C25H27FN8O2 — CID 142411798

IUPAC15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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
SMILESCN(C)CCn1cc(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1
InChIInChI=1S/C25H27FN8O2/c1-32(2)9-10-34-15-17(14-28-34)18-12-19-22(13-20(18)26)36-11-4-3-8-33-16-27-31-24(33)21-6-5-7-23(29-21)30-25(19)35/h5-7,12-16H,3-4,8-11H2,1-2H3,(H,29,30,35)
InChIKeyUJVBKOLYLIYYIT-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.33
Rot. Bonds4

About 15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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 142411798) has the molecular formula C25H27FN8O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is 15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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 CID142411798
Molecular FormulaC25H27FN8O2
Molecular Weight490.54 g/mol
Exact Mass490.22
IUPAC Name15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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
SMILESCN(C)CCn1cc(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1
InChIInChI=1S/C25H27FN8O2/c1-32(2)9-10-34-15-17(14-28-34)18-12-19-22(13-20(18)26)36-11-4-3-8-33-16-27-31-24(33)21-6-5-7-23(29-21)30-25(19)35/h5-7,12-16H,3-4,8-11H2,1-2H3,(H,29,30,35)
InChIKeyUJVBKOLYLIYYIT-UHFFFAOYSA-N
XLogP3.33
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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 142411798) is 15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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 CN(C)CCn1cc(-c2cc3c(cc2F)OCCCCn2cnnc2-c2cccc(n2)NC3=O)cn1.
What is the InChIKey of 15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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 UJVBKOLYLIYYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2/c1-32(2)9-10-34-15-17(14-28-34)18-12-19-22(13-20(18)26)36-11-4-3-8-33-16-27-31-24(33)21-6-5-7-23(29-21)30-25(19)35/h5-7,12-16H,3-4,8-11H2,1-2H3,(H,29,30,35).
What are the key properties of 15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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 490.54 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-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 142411798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).