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

C23H20ClFN4O3 — CID 43865347

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H20ClFN4O3/c1-13-17(23(30)27-18-10-15(24)6-9-20(18)32-3)11-26-22-21(14-4-7-16(25)8-5-14)19(12-31-2)28-29(13)22/h4-11H,12H2,1-3H3,(H,27,30)
InChIKeyCNXMXAKAGMSXSB-UHFFFAOYSA-N
MW454.89 g/mol
LogP4.90
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 43865347) has the molecular formula C23H20ClFN4O3 and a molecular weight of 454.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID43865347
Molecular FormulaC23H20ClFN4O3
Molecular Weight454.89 g/mol
Exact Mass454.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H20ClFN4O3/c1-13-17(23(30)27-18-10-15(24)6-9-20(18)32-3)11-26-22-21(14-4-7-16(25)8-5-14)19(12-31-2)28-29(13)22/h4-11H,12H2,1-3H3,(H,27,30)
InChIKeyCNXMXAKAGMSXSB-UHFFFAOYSA-N
XLogP4.90
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865362
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
N-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865354
2-(methoxymethyl)-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865358
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
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-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913797
N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189781
N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791453

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 43865347) is N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)cnc2c1-c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CNXMXAKAGMSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O3/c1-13-17(23(30)27-18-10-15(24)6-9-20(18)32-3)11-26-22-21(14-4-7-16(25)8-5-14)19(12-31-2)28-29(13)22/h4-11H,12H2,1-3H3,(H,27,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 454.89 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43865347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).