11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

C26H25N7O3 — CID 87052590

IUPAC11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESCCn1nc(C)c(-c2cc(C(=O)N3CCc4nc5cc(-c6ccccc6)[nH]n5c(=O)c4C3)no2)c1C
InChIInChI=1S/C26H25N7O3/c1-4-32-16(3)24(15(2)28-32)22-12-21(30-36-22)26(35)31-11-10-19-18(14-31)25(34)33-23(27-19)13-20(29-33)17-8-6-5-7-9-17/h5-9,12-13,29H,4,10-11,14H2,1-3H3
InChIKeyCRNBYLVTAAGHCD-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.38
Rot. Bonds4

About 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (PubChem CID 87052590) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.

Molecular Properties

Compound Name11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
PubChem CID87052590
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESCCn1nc(C)c(-c2cc(C(=O)N3CCc4nc5cc(-c6ccccc6)[nH]n5c(=O)c4C3)no2)c1C
InChIInChI=1S/C26H25N7O3/c1-4-32-16(3)24(15(2)28-32)22-12-21(30-36-22)26(35)31-11-10-19-18(14-31)25(34)33-23(27-19)13-20(29-33)17-8-6-5-7-9-17/h5-9,12-13,29H,4,10-11,14H2,1-3H3
InChIKeyCRNBYLVTAAGHCD-UHFFFAOYSA-N
XLogP3.38
TPSA114.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The IUPAC name of 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (CID 87052590) is 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.
What is the SMILES notation for 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The canonical SMILES for 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is CCn1nc(C)c(-c2cc(C(=O)N3CCc4nc5cc(-c6ccccc6)[nH]n5c(=O)c4C3)no2)c1C.
What is the InChIKey of 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The InChIKey is CRNBYLVTAAGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-4-32-16(3)24(15(2)28-32)22-12-21(30-36-22)26(35)31-11-10-19-18(14-31)25(34)33-23(27-19)13-20(29-33)17-8-6-5-7-9-17/h5-9,12-13,29H,4,10-11,14H2,1-3H3.
What are the key properties of 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one has a molecular weight of 483.53 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is sourced from PubChem (CID 87052590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).