5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

C17H19ClFN5 — CID 154893939

IUPAC5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCl.Fc1ccccc1-c1cc(N[C@H]2CCCNC2)n2nccc2n1
InChIInChI=1S/C17H18FN5.ClH/c18-14-6-2-1-5-13(14)15-10-17(21-12-4-3-8-19-11-12)23-16(22-15)7-9-20-23;/h1-2,5-7,9-10,12,19,21H,3-4,8,11H2;1H/t12-;/m0./s1
InChIKeyQSEDVORMRRIRKJ-YDALLXLXSA-N
MW347.83 g/mol
LogP3.12
Rot. Bonds3

About 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (PubChem CID 154893939) has the molecular formula C17H19ClFN5 and a molecular weight of 347.83 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
PubChem CID154893939
Molecular FormulaC17H19ClFN5
Molecular Weight347.83 g/mol
Exact Mass347.13
IUPAC Name5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCl.Fc1ccccc1-c1cc(N[C@H]2CCCNC2)n2nccc2n1
InChIInChI=1S/C17H18FN5.ClH/c18-14-6-2-1-5-13(14)15-10-17(21-12-4-3-8-19-11-12)23-16(22-15)7-9-20-23;/h1-2,5-7,9-10,12,19,21H,3-4,8,11H2;1H/t12-;/m0./s1
InChIKeyQSEDVORMRRIRKJ-YDALLXLXSA-N
XLogP3.12
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909518
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56883490
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 133126009
5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889061
5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56896235
1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
CID 154893497
1-[(3S)-3-[[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]ethanone
CID 95727075
6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 91221809
N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895615
3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 169098938
5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56887594
7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 160529095

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The IUPAC name of 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (CID 154893939) is 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is Cl.Fc1ccccc1-c1cc(N[C@H]2CCCNC2)n2nccc2n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The InChIKey is QSEDVORMRRIRKJ-YDALLXLXSA-N. The full InChI is InChI=1S/C17H18FN5.ClH/c18-14-6-2-1-5-13(14)15-10-17(21-12-4-3-8-19-11-12)23-16(22-15)7-9-20-23;/h1-2,5-7,9-10,12,19,21H,3-4,8,11H2;1H/t12-;/m0./s1.
What are the key properties of 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride has a molecular weight of 347.83 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is sourced from PubChem (CID 154893939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).