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

C20H21FN6O2 — CID 126776600

IUPACN-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccn2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)c2n1
InChIInChI=1S/C20H21FN6O2/c1-14-6-7-27-19(23-14)15(12-22-27)20(29)26-10-8-25(9-11-26)13-18(28)24-17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3,(H,24,28)
InChIKeyXOGUGAZRJAARCN-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.57
Rot. Bonds4

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

N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 126776600) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID126776600
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccn2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)c2n1
InChIInChI=1S/C20H21FN6O2/c1-14-6-7-27-19(23-14)15(12-22-27)20(29)26-10-8-25(9-11-26)13-18(28)24-17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3,(H,24,28)
InChIKeyXOGUGAZRJAARCN-UHFFFAOYSA-N
XLogP1.57
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 39624781
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 132970117
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
CID 24659733
2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55576311
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
CID 133417231
N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 31905864
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide (CID 126776600) is N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide is Cc1ccn2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4F)CC3)c2n1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is XOGUGAZRJAARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-14-6-7-27-19(23-14)15(12-22-27)20(29)26-10-8-25(9-11-26)13-18(28)24-17-5-3-2-4-16(17)21/h2-7,12H,8-11,13H2,1H3,(H,24,28).
What are the key properties of N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 126776600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).