N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

C27H28FN5O — CID 46378548

IUPACN-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3cc(C)nc4cc(-c5ccc(F)cc5)nn34)CC2)cc1
InChIInChI=1S/C27H28FN5O/c1-3-19-4-10-23(11-5-19)30-27(34)21-12-14-32(15-13-21)26-16-18(2)29-25-17-24(31-33(25)26)20-6-8-22(28)9-7-20/h4-11,16-17,21H,3,12-15H2,1-2H3,(H,30,34)
InChIKeyVWXIARPDDFMFMZ-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.26
Rot. Bonds5

About N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (PubChem CID 46378548) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
PubChem CID46378548
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC NameN-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3cc(C)nc4cc(-c5ccc(F)cc5)nn34)CC2)cc1
InChIInChI=1S/C27H28FN5O/c1-3-19-4-10-23(11-5-19)30-27(34)21-12-14-32(15-13-21)26-16-18(2)29-25-17-24(31-33(25)26)20-6-8-22(28)9-7-20/h4-11,16-17,21H,3,12-15H2,1-2H3,(H,30,34)
InChIKeyVWXIARPDDFMFMZ-UHFFFAOYSA-N
XLogP5.26
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821742
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378549
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 46378495
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821900
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46378474
N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378543
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 50822008
N-(3,4-dimethylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378447
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46378480
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821845
N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378544
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (CID 46378548) is N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(c3cc(C)nc4cc(-c5ccc(F)cc5)nn34)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The InChIKey is VWXIARPDDFMFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-3-19-4-10-23(11-5-19)30-27(34)21-12-14-32(15-13-21)26-16-18(2)29-25-17-24(31-33(25)26)20-6-8-22(28)9-7-20/h4-11,16-17,21H,3,12-15H2,1-2H3,(H,30,34).
What are the key properties of N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46378548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).