N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C20H24FN5 — CID 95862662

IUPACN-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@H]2CCCN(Cc3ccc(F)cc3)C2)n2nc(C)cc2n1
InChIInChI=1S/C20H24FN5/c1-14-10-20(26-19(22-14)11-15(2)24-26)23-18-4-3-9-25(13-18)12-16-5-7-17(21)8-6-16/h5-8,10-11,18,23H,3-4,9,12-13H2,1-2H3/t18-/m0/s1
InChIKeyYQAQXNLKZMHUBE-SFHVURJKSA-N
MW353.45 g/mol
LogP3.56
Rot. Bonds4

About N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95862662) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95862662
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC NameN-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@H]2CCCN(Cc3ccc(F)cc3)C2)n2nc(C)cc2n1
InChIInChI=1S/C20H24FN5/c1-14-10-20(26-19(22-14)11-15(2)24-26)23-18-4-3-9-25(13-18)12-16-5-7-17(21)8-6-16/h5-8,10-11,18,23H,3-4,9,12-13H2,1-2H3/t18-/m0/s1
InChIKeyYQAQXNLKZMHUBE-SFHVURJKSA-N
XLogP3.56
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56889920
N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891849
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine
CID 124958622
5-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110220911
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804
N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine
CID 21098440
2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
CID 124968077
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
N-[(3S)-1-benzylpiperidin-3-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506855
(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
CID 25382358

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95862662) is N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N[C@H]2CCCN(Cc3ccc(F)cc3)C2)n2nc(C)cc2n1.
What is the InChIKey of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YQAQXNLKZMHUBE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FN5/c1-14-10-20(26-19(22-14)11-15(2)24-26)23-18-4-3-9-25(13-18)12-16-5-7-17(21)8-6-16/h5-8,10-11,18,23H,3-4,9,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95862662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).