N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H23ClN4O4 — CID 43865362

IUPACN-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)cnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C24H23ClN4O4/c1-14-18(24(30)27-19-11-16(25)7-10-21(19)33-4)12-26-23-22(20(13-31-2)28-29(14)23)15-5-8-17(32-3)9-6-15/h5-12H,13H2,1-4H3,(H,27,30)
InChIKeyJAIROCNKGQYRJE-UHFFFAOYSA-N
MW466.93 g/mol
LogP4.77
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 43865362) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID43865362
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)cnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C24H23ClN4O4/c1-14-18(24(30)27-19-11-16(25)7-10-21(19)33-4)12-26-23-22(20(13-31-2)28-29(14)23)15-5-8-17(32-3)9-6-15/h5-12H,13H2,1-4H3,(H,27,30)
InChIKeyJAIROCNKGQYRJE-UHFFFAOYSA-N
XLogP4.77
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865347
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
2-(methoxymethyl)-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865358
N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865354
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338268
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
4-amino-N-(5-chloro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81233986
N-(4-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864208
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 43865362) is N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)cnc2c1-c1ccc(OC)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JAIROCNKGQYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-14-18(24(30)27-19-11-16(25)7-10-21(19)33-4)12-26-23-22(20(13-31-2)28-29(14)23)15-5-8-17(32-3)9-6-15/h5-12H,13H2,1-4H3,(H,27,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 466.93 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43865362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).