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

C22H18ClFN4O2 — CID 50790679

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C
InChIInChI=1S/C22H18ClFN4O2/c1-12-20(14-4-7-16(24)8-5-14)21-25-11-17(13(2)28(21)27-12)22(29)26-18-10-15(23)6-9-19(18)30-3/h4-11H,1-3H3,(H,26,29)
InChIKeyOCBMVFDIAXWXSM-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.07
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 50790679) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID50790679
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C
InChIInChI=1S/C22H18ClFN4O2/c1-12-20(14-4-7-16(24)8-5-14)21-25-11-17(13(2)28(21)27-12)22(29)26-18-10-15(23)6-9-19(18)30-3/h4-11H,1-3H3,(H,26,29)
InChIKeyOCBMVFDIAXWXSM-UHFFFAOYSA-N
XLogP5.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865362
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338268
3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
4-amino-N-(5-chloro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81233986
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865354
N-(5-chloro-2-methoxyphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237297
3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943364
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 50790679) is N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OCBMVFDIAXWXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-12-20(14-4-7-16(24)8-5-14)21-25-11-17(13(2)28(21)27-12)22(29)26-18-10-15(23)6-9-19(18)30-3/h4-11H,1-3H3,(H,26,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 424.86 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 50790679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).