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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Related Compounds

4-(3-(8-(5,6-Dimethoxypyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzamido)benzoic acid
CID 71457142
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
3,4-dimethoxy-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)benzamide
CID 7217791
1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-
CID 16598922
Propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 24774930
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
N-(4-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
CID 44432315
8-[[4-(Aminocarbonyl)-2-methoxyphenyl]amino]-N-(2,6-diethylphenyl)-4,5-dihydro-1-methyl-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 44556214
Methyl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 46232194
N-[3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555957
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N,N-dimethylbenzamide
CID 66574713
4-[[3-[8-[(5,6-Dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoic acid
CID 71074152

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).