6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one

C24H24ClN5O3 — CID 20764992

IUPAC6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one
SMILESCCC1(Oc2ccc(C)cc2C)C(=O)NC12C=C(C(=O)c1nc3c(Cl)c(C)[nH]n3n1)C=CC2
InChIInChI=1S/C24H24ClN5O3/c1-5-24(33-17-9-8-13(2)11-14(17)3)22(32)27-23(24)10-6-7-16(12-23)19(31)20-26-21-18(25)15(4)28-30(21)29-20/h6-9,11-12,28H,5,10H2,1-4H3,(H,27,32)
InChIKeyHQEZSFFGSPHDNO-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.80
Rot. Bonds5

About 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one

6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one (PubChem CID 20764992) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one.

Molecular Properties

Compound Name6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one
PubChem CID20764992
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one
SMILESCCC1(Oc2ccc(C)cc2C)C(=O)NC12C=C(C(=O)c1nc3c(Cl)c(C)[nH]n3n1)C=CC2
InChIInChI=1S/C24H24ClN5O3/c1-5-24(33-17-9-8-13(2)11-14(17)3)22(32)27-23(24)10-6-7-16(12-23)19(31)20-26-21-18(25)15(4)28-30(21)29-20/h6-9,11-12,28H,5,10H2,1-4H3,(H,27,32)
InChIKeyHQEZSFFGSPHDNO-UHFFFAOYSA-N
XLogP3.80
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one?
The IUPAC name of 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one (CID 20764992) is 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one.
What is the SMILES notation for 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one?
The canonical SMILES for 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one is CCC1(Oc2ccc(C)cc2C)C(=O)NC12C=C(C(=O)c1nc3c(Cl)c(C)[nH]n3n1)C=CC2.
What is the InChIKey of 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one?
The InChIKey is HQEZSFFGSPHDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-5-24(33-17-9-8-13(2)11-14(17)3)22(32)27-23(24)10-6-7-16(12-23)19(31)20-26-21-18(25)15(4)28-30(21)29-20/h6-9,11-12,28H,5,10H2,1-4H3,(H,27,32).
What are the key properties of 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one?
6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one has a molecular weight of 465.94 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole-2-carbonyl)-3-(2,4-dimethylphenoxy)-3-ethyl-1-azaspiro[3.5]nona-5,7-dien-2-one is sourced from PubChem (CID 20764992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).