15-(1-methylindazol-5-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

C26H23N7O2 — CID 155097639

IUPAC15-(1-methylindazol-5-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
SMILESCn1ncc2cc(-c3ccc4c(c3)C(=O)Nc3cccc(n3)-c3nncn3CCCCO4)ccc21
InChIInChI=1S/C26H23N7O2/c1-32-22-9-7-17(13-19(22)15-28-32)18-8-10-23-20(14-18)26(34)30-24-6-4-5-21(29-24)25-31-27-16-33(25)11-2-3-12-35-23/h4-10,13-16H,2-3,11-12H2,1H3,(H,29,30,34)
InChIKeyRMHBHIFLGRYYER-UHFFFAOYSA-N
MW465.52 g/mol
LogP4.32
Rot. Bonds1

About 15-(1-methylindazol-5-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-(1-methylindazol-5-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 155097639) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 15-(1-methylindazol-5-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-(1-methylindazol-5-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 CID155097639
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name15-(1-methylindazol-5-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
SMILESCn1ncc2cc(-c3ccc4c(c3)C(=O)Nc3cccc(n3)-c3nncn3CCCCO4)ccc21
InChIInChI=1S/C26H23N7O2/c1-32-22-9-7-17(13-19(22)15-28-32)18-8-10-23-20(14-18)26(34)30-24-6-4-5-21(29-24)25-31-27-16-33(25)11-2-3-12-35-23/h4-10,13-16H,2-3,11-12H2,1H3,(H,29,30,34)
InChIKeyRMHBHIFLGRYYER-UHFFFAOYSA-N
XLogP4.32
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 15-(1-methylindazol-5-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-(1-methylindazol-5-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-(1-methylindazol-5-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 155097639) is 15-(1-methylindazol-5-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-(1-methylindazol-5-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-(1-methylindazol-5-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 Cn1ncc2cc(-c3ccc4c(c3)C(=O)Nc3cccc(n3)-c3nncn3CCCCO4)ccc21.
What is the InChIKey of 15-(1-methylindazol-5-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 RMHBHIFLGRYYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-32-22-9-7-17(13-19(22)15-28-32)18-8-10-23-20(14-18)26(34)30-24-6-4-5-21(29-24)25-31-27-16-33(25)11-2-3-12-35-23/h4-10,13-16H,2-3,11-12H2,1H3,(H,29,30,34).
What are the key properties of 15-(1-methylindazol-5-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-(1-methylindazol-5-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 465.52 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(1-methylindazol-5-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 155097639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).