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

C23H21FN4O3 — CID 43865354

IUPACN-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)cnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H21FN4O3/c1-14-19(23(29)26-17-8-6-16(24)7-9-17)12-25-22-21(20(13-30-2)27-28(14)22)15-4-10-18(31-3)11-5-15/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyANXVRVLCWGMQLG-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.25
Rot. Bonds6

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

N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 43865354) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID43865354
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)cnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H21FN4O3/c1-14-19(23(29)26-17-8-6-16(24)7-9-17)12-25-22-21(20(13-30-2)27-28(14)22)15-4-10-18(31-3)11-5-15/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyANXVRVLCWGMQLG-UHFFFAOYSA-N
XLogP4.25
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865358
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-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
N-(4-ethoxyphenyl)-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264794
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264833
3-(4-fluorophenyl)-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865277
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864181
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 43865354) is N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)cnc2c1-c1ccc(OC)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ANXVRVLCWGMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-14-19(23(29)26-17-8-6-16(24)7-9-17)12-25-22-21(20(13-30-2)27-28(14)22)15-4-10-18(31-3)11-5-15/h4-12H,13H2,1-3H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43865354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).