(7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one

C24H24FN5O3 — CID 142412043

IUPAC(7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2cc(F)c(C3=CCOCC3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C24H24FN5O3/c1-15-4-3-9-33-21-13-19(25)17(16-7-10-32-11-8-16)12-18(21)24(31)28-22-6-2-5-20(27-22)23-29-26-14-30(15)23/h2,5-7,12-15H,3-4,8-11H2,1H3,(H,27,28,31)/t15-/m0/s1
InChIKeyMRNXDVTZLYVVOR-HNNXBMFYSA-N
MW449.49 g/mol
LogP4.27
Rot. Bonds1

About (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one

(7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one (PubChem CID 142412043) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one.

Molecular Properties

Compound Name(7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
PubChem CID142412043
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name(7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2cc(F)c(C3=CCOCC3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C24H24FN5O3/c1-15-4-3-9-33-21-13-19(25)17(16-7-10-32-11-8-16)12-18(21)24(31)28-22-6-2-5-20(27-22)23-29-26-14-30(15)23/h2,5-7,12-15H,3-4,8-11H2,1H3,(H,27,28,31)/t15-/m0/s1
InChIKeyMRNXDVTZLYVVOR-HNNXBMFYSA-N
XLogP4.27
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
The IUPAC name of (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one (CID 142412043) is (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one.
What is the SMILES notation for (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
The canonical SMILES for (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one is C[C@H]1CCCOc2cc(F)c(C3=CCOCC3)cc2C(=O)Nc2cccc(n2)-c2nncn21.
What is the InChIKey of (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
The InChIKey is MRNXDVTZLYVVOR-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-15-4-3-9-33-21-13-19(25)17(16-7-10-32-11-8-16)12-18(21)24(31)28-22-6-2-5-20(27-22)23-29-26-14-30(15)23/h2,5-7,12-15H,3-4,8-11H2,1H3,(H,27,28,31)/t15-/m0/s1.
What are the key properties of (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one?
(7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one has a molecular weight of 449.49 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-15-(3,6-dihydro-2H-pyran-4-yl)-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one is sourced from PubChem (CID 142412043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).