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

C27H28FN5O — CID 50821709

IUPAC1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5F)nn34)CC2)cc1
InChIInChI=1S/C27H28FN5O/c1-18-7-9-20(10-8-18)17-29-27(34)21-11-13-32(14-12-21)26-15-19(2)30-25-16-24(31-33(25)26)22-5-3-4-6-23(22)28/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,29,34)
InChIKeyXFRDZWLOEDGDFH-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.69
Rot. Bonds5

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

1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 50821709) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID50821709
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC Name1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5F)nn34)CC2)cc1
InChIInChI=1S/C27H28FN5O/c1-18-7-9-20(10-8-18)17-29-27(34)21-11-13-32(14-12-21)26-15-19(2)30-25-16-24(31-33(25)26)22-5-3-4-6-23(22)28/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,29,34)
InChIKeyXFRDZWLOEDGDFH-UHFFFAOYSA-N
XLogP4.69
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378425
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50821797
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378549
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 50822054
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46378481
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 46378566
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46378501
N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 50822103
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460
N-[2-(cyclohexen-1-yl)ethyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 50821709) is 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5F)nn34)CC2)cc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XFRDZWLOEDGDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-18-7-9-20(10-8-18)17-29-27(34)21-11-13-32(14-12-21)26-15-19(2)30-25-16-24(31-33(25)26)22-5-3-4-6-23(22)28/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,29,34).
What are the key properties of 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50821709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).