[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine

C20H23F2N5O — CID 177341055

IUPAC[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine
SMILESC1CCNCC1.FOc1cc(Nc2cccc(F)c2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C15H12F2N4O.C5H11N/c16-10-2-1-3-11(6-10)19-13-7-14(22-17)20-15-12(9-4-5-9)8-18-21(13)15;1-2-4-6-5-3-1/h1-3,6-9,19H,4-5H2;6H,1-5H2
InChIKeyFRVLPVGXQSAPKZ-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.51
Rot. Bonds4

About [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine

[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine (PubChem CID 177341055) has the molecular formula C20H23F2N5O and a molecular weight of 387.43 g/mol. Its IUPAC name is [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine.

Molecular Properties

Compound Name[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine
PubChem CID177341055
Molecular FormulaC20H23F2N5O
Molecular Weight387.43 g/mol
Exact Mass387.19
IUPAC Name[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine
SMILESC1CCNCC1.FOc1cc(Nc2cccc(F)c2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C15H12F2N4O.C5H11N/c16-10-2-1-3-11(6-10)19-13-7-14(22-17)20-15-12(9-4-5-9)8-18-21(13)15;1-2-4-6-5-3-1/h1-3,6-9,19H,4-5H2;6H,1-5H2
InChIKeyFRVLPVGXQSAPKZ-UHFFFAOYSA-N
XLogP4.51
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155104155
3-cyclobutyl-7-N-(3-fluorophenyl)-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155693877
3-cyclobutyl-N-(3-fluoro-5-methylphenyl)-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
CID 155104215
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine
CID 164763988
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride
CID 164763987
(3S,4S)-4-[[[3-cyclobutyl-7-[3-[(3S,4S)-4-[[[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]oxan-3-yl]oxy-5-fluoroanilino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]oxan-3-ol
CID 155121444
3-cyclobutyl-7-N-(3-fluoro-5-methylphenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155104200
3-[(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5-fluorobenzonitrile
CID 155104328
3-[[3-cyclopropyl-5-[(1-hydroxypiperidin-4-yl)methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzonitrile
CID 155104170
3-cyclobutyl-7-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155121780
7-N-[(3-chlorophenyl)methyl]-3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
CID 155104186
3-[[3-cyclopropyl-5-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-5-fluorobenzonitrile
CID 155104333

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine?
The IUPAC name of [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine (CID 177341055) is [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine.
What is the SMILES notation for [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine?
The canonical SMILES for [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine is C1CCNCC1.FOc1cc(Nc2cccc(F)c2)n2ncc(C3CC3)c2n1.
What is the InChIKey of [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine?
The InChIKey is FRVLPVGXQSAPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O.C5H11N/c16-10-2-1-3-11(6-10)19-13-7-14(22-17)20-15-12(9-4-5-9)8-18-21(13)15;1-2-4-6-5-3-1/h1-3,6-9,19H,4-5H2;6H,1-5H2.
What are the key properties of [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine?
[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine has a molecular weight of 387.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine is sourced from PubChem (CID 177341055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).