1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide

C25H23ClFN5O — CID 46378474

IUPAC1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C25H23ClFN5O/c1-16-13-24(32-23(28-16)15-22(30-32)17-5-7-19(26)8-6-17)31-11-9-18(10-12-31)25(33)29-21-4-2-3-20(27)14-21/h2-8,13-15,18H,9-12H2,1H3,(H,29,33)
InChIKeyMZECSXAHUKXAOX-UHFFFAOYSA-N
MW463.94 g/mol
LogP5.35
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide

1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 46378474) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID46378474
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC Name1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C25H23ClFN5O/c1-16-13-24(32-23(28-16)15-22(30-32)17-5-7-19(26)8-6-17)31-11-9-18(10-12-31)25(33)29-21-4-2-3-20(27)14-21/h2-8,13-15,18H,9-12H2,1H3,(H,29,33)
InChIKeyMZECSXAHUKXAOX-UHFFFAOYSA-N
XLogP5.35
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378505
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 46378495
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378544
N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378548
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-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46378480
N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378543
N-(3,4-dimethylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378447
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821742
N-(3-chloro-2-methylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378443

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 46378474) is 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is MZECSXAHUKXAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c1-16-13-24(32-23(28-16)15-22(30-32)17-5-7-19(26)8-6-17)31-11-9-18(10-12-31)25(33)29-21-4-2-3-20(27)14-21/h2-8,13-15,18H,9-12H2,1H3,(H,29,33).
What are the key properties of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46378474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).