9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one

C27H26N6O5 — CID 169410589

IUPAC9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
SMILESCOc1cc2c3cc1OCC(=O)NCCCOc1cccc(c1)C2N(C(=O)c1ccc2nnnn2c1)CC3
InChIInChI=1S/C27H26N6O5/c1-36-22-14-21-17-8-10-32(27(35)19-6-7-24-29-30-31-33(24)15-19)26(21)18-4-2-5-20(12-18)37-11-3-9-28-25(34)16-38-23(22)13-17/h2,4-7,12-15,26H,3,8-11,16H2,1H3,(H,28,34)
InChIKeyWILDIMWXILLKQZ-UHFFFAOYSA-N
MW514.54 g/mol
LogP2.20
Rot. Bonds2

About 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one

9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one (PubChem CID 169410589) has the molecular formula C27H26N6O5 and a molecular weight of 514.54 g/mol. Its IUPAC name is 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one.

Molecular Properties

Compound Name9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
PubChem CID169410589
Molecular FormulaC27H26N6O5
Molecular Weight514.54 g/mol
Exact Mass514.20
IUPAC Name9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
SMILESCOc1cc2c3cc1OCC(=O)NCCCOc1cccc(c1)C2N(C(=O)c1ccc2nnnn2c1)CC3
InChIInChI=1S/C27H26N6O5/c1-36-22-14-21-17-8-10-32(27(35)19-6-7-24-29-30-31-33(24)15-19)26(21)18-4-2-5-20(12-18)37-11-3-9-28-25(34)16-38-23(22)13-17/h2,4-7,12-15,26H,3,8-11,16H2,1H3,(H,28,34)
InChIKeyWILDIMWXILLKQZ-UHFFFAOYSA-N
XLogP2.20
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one with MolForge

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-carbonyl)-9-methoxy-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 170509259
9-methoxy-3-[4-(tetrazol-1-ylmethyl)benzoyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 170503686
9-methoxy-3-(4-methylsulfonylbenzoyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 170510971
3-(2-amino-1,3-benzothiazole-5-carbonyl)-9-methoxy-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 169411163
3-[3-(4-chloropyrazol-1-yl)propanoyl]-9-methoxy-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 169410590
9-methoxy-3-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 169411715
3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-9-methoxy-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 170510661
3-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-9-methoxy-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 170502594
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-9-methoxy-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 170504916
9-methoxy-3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 170506399
9-methoxy-3-(2-methoxyphenyl)sulfonyl-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one
CID 169411444
3-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-9-methoxy-13-oxo-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaene
CID 169421562

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one?
The IUPAC name of 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one (CID 169410589) is 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one.
What is the SMILES notation for 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one?
The canonical SMILES for 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one is COc1cc2c3cc1OCC(=O)NCCCOc1cccc(c1)C2N(C(=O)c1ccc2nnnn2c1)CC3.
What is the InChIKey of 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one?
The InChIKey is WILDIMWXILLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O5/c1-36-22-14-21-17-8-10-32(27(35)19-6-7-24-29-30-31-33(24)15-19)26(21)18-4-2-5-20(12-18)37-11-3-9-28-25(34)16-38-23(22)13-17/h2,4-7,12-15,26H,3,8-11,16H2,1H3,(H,28,34).
What are the key properties of 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one?
9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one has a molecular weight of 514.54 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-(tetrazolo[1,5-a]pyridine-6-carbonyl)-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6(24),7,9,19,21-hexaen-13-one is sourced from PubChem (CID 169410589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).