N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide

C22H19FN4O2 — CID 68748025

IUPACN-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nn3c(C)ccnc3c2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H19FN4O2/c1-14-10-11-24-22-20(16-4-3-5-17(23)13-16)21(26-27(14)22)25-19(28)12-15-6-8-18(29-2)9-7-15/h3-11,13H,12H2,1-2H3,(H,25,26,28)
InChIKeyGKXMGYPNUSAKDV-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.03
Rot. Bonds5

About N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide

N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 68748025) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID68748025
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nn3c(C)ccnc3c2-c2cccc(F)c2)cc1
InChIInChI=1S/C22H19FN4O2/c1-14-10-11-24-22-20(16-4-3-5-17(23)13-16)21(26-27(14)22)25-19(28)12-15-6-8-18(29-2)9-7-15/h3-11,13H,12H2,1-2H3,(H,25,26,28)
InChIKeyGKXMGYPNUSAKDV-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 68752643
N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42694497
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
N'-[2-(3-fluorophenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 2670452
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
N-(4-fluoro-2-iodophenyl)-2-(4-methoxyphenyl)acetamide
CID 79767117
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
2-(3-fluorophenyl)-N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027442
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3596684
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16841386
methyl 4-[[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methylamino]methyl]benzoate
CID 42512571

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide (CID 68748025) is N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nn3c(C)ccnc3c2-c2cccc(F)c2)cc1.
What is the InChIKey of N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is GKXMGYPNUSAKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14-10-11-24-22-20(16-4-3-5-17(23)13-16)21(26-27(14)22)25-19(28)12-15-6-8-18(29-2)9-7-15/h3-11,13H,12H2,1-2H3,(H,25,26,28).
What are the key properties of N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide?
N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 390.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 68748025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).