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

C25H23F2N5O — CID 46378549

IUPACN-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ccccc3F)CC2)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C25H23F2N5O/c1-16-14-24(32-23(28-16)15-22(30-32)17-6-8-19(26)9-7-17)31-12-10-18(11-13-31)25(33)29-21-5-3-2-4-20(21)27/h2-9,14-15,18H,10-13H2,1H3,(H,29,33)
InChIKeyIPKVSLFCNPJOTB-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.84
Rot. Bonds4

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

N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (PubChem CID 46378549) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
PubChem CID46378549
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC NameN-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ccccc3F)CC2)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C25H23F2N5O/c1-16-14-24(32-23(28-16)15-22(30-32)17-6-8-19(26)9-7-17)31-12-10-18(11-13-31)25(33)29-21-5-3-2-4-20(21)27/h2-9,14-15,18H,10-13H2,1H3,(H,29,33)
InChIKeyIPKVSLFCNPJOTB-UHFFFAOYSA-N
XLogP4.84
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50822081
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821798
N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378548
N-(3-chloro-2-methylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378443
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
N-(3-chloro-2-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378519
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-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (CID 46378549) is N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)Nc3ccccc3F)CC2)n2nc(-c3ccc(F)cc3)cc2n1.
What is the InChIKey of N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The InChIKey is IPKVSLFCNPJOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O/c1-16-14-24(32-23(28-16)15-22(30-32)17-6-8-19(26)9-7-17)31-12-10-18(11-13-31)25(33)29-21-5-3-2-4-20(21)27/h2-9,14-15,18H,10-13H2,1H3,(H,29,33).
What are the key properties of N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46378549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).