N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide

C25H23FN6O2 — CID 55789547

IUPACN-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C25H23FN6O2/c26-19-6-8-20(9-7-19)29-23(33)17-30-12-14-31(15-13-30)25(34)21-16-28-32-22(10-11-27-24(21)32)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,29,33)
InChIKeyWWCAUMXJBWKRGV-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.93
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55789547) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID55789547
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC NameN-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C25H23FN6O2/c26-19-6-8-20(9-7-19)29-23(33)17-30-12-14-31(15-13-30)25(34)21-16-28-32-22(10-11-27-24(21)32)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,29,33)
InChIKeyWWCAUMXJBWKRGV-UHFFFAOYSA-N
XLogP2.93
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 39325357
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19327477
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
CID 13476016
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46493183
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
N-(4-fluorophenyl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560761

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide (CID 55789547) is N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WWCAUMXJBWKRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c26-19-6-8-20(9-7-19)29-23(33)17-30-12-14-31(15-13-30)25(34)21-16-28-32-22(10-11-27-24(21)32)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,29,33).
What are the key properties of N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 458.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55789547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).