methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate

C24H22N4O6 — CID 167400964

IUPACmethyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(OC)c1
InChIInChI=1S/C24H22N4O6/c1-31-19-8-6-14(11-21(19)33-3)18-9-10-25-22-13-17(27-28(18)22)23(29)26-16-7-5-15(24(30)34-4)12-20(16)32-2/h5-13H,1-4H3,(H,26,29)
InChIKeyZLNBWTQCAXUQJD-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.46
Rot. Bonds7

About methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate

methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate (PubChem CID 167400964) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate
PubChem CID167400964
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Namemethyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(OC)c1
InChIInChI=1S/C24H22N4O6/c1-31-19-8-6-14(11-21(19)33-3)18-9-10-25-22-13-17(27-28(18)22)23(29)26-16-7-5-15(24(30)34-4)12-20(16)32-2/h5-13H,1-4H3,(H,26,29)
InChIKeyZLNBWTQCAXUQJD-UHFFFAOYSA-N
XLogP3.46
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate (CID 167400964) is methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate is COC(=O)c1ccc(NC(=O)c2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)c(OC)c1.
What is the InChIKey of methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate?
The InChIKey is ZLNBWTQCAXUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-31-19-8-6-14(11-21(19)33-3)18-9-10-25-22-13-17(27-28(18)22)23(29)26-16-7-5-15(24(30)34-4)12-20(16)32-2/h5-13H,1-4H3,(H,26,29).
What are the key properties of methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate?
methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate has a molecular weight of 462.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methoxybenzoate is sourced from PubChem (CID 167400964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).