5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H22FN5 — CID 46960716

IUPAC5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C3CCCN(Cc4ccccc4F)C3)cc(N)n2n1
InChIInChI=1S/C19H22FN5/c1-13-9-19-22-17(10-18(21)25(19)23-13)15-6-4-8-24(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7,9-10,15H,4,6,8,11-12,21H2,1H3
InChIKeyBLVQRZJTILOHOJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.14
Rot. Bonds3

About 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46960716) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46960716
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C3CCCN(Cc4ccccc4F)C3)cc(N)n2n1
InChIInChI=1S/C19H22FN5/c1-13-9-19-22-17(10-18(21)25(19)23-13)15-6-4-8-24(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7,9-10,15H,4,6,8,11-12,21H2,1H3
InChIKeyBLVQRZJTILOHOJ-UHFFFAOYSA-N
XLogP3.14
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 110220484
5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92555636
5-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589156
2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95800811
5-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589345
5-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46960718
4-[[3-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 46953318
1-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-methylimidazo[1,5-a]pyridine
CID 92564228
2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 124827161
8-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]quinoline
CID 95801734
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110109889

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 46960716) is 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C3CCCN(Cc4ccccc4F)C3)cc(N)n2n1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BLVQRZJTILOHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-13-9-19-22-17(10-18(21)25(19)23-13)15-6-4-8-24(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7,9-10,15H,4,6,8,11-12,21H2,1H3.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46960716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).