3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

C23H24FN7O — CID 58268944

IUPAC3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESC[C@H](Nc1cc(-c2c(N)nn3cccnc23)nc(OCCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN7O/c1-14(16-5-7-17(24)8-6-16)27-19-13-18(28-23(29-19)32-12-9-15-3-4-15)20-21(25)30-31-11-2-10-26-22(20)31/h2,5-8,10-11,13-15H,3-4,9,12H2,1H3,(H2,25,30)(H,27,28,29)/t14-/m0/s1
InChIKeyZKQCLHLFPYZFCM-AWEZNQCLSA-N
MW433.49 g/mol
LogP4.26
Rot. Bonds8

About 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 58268944) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID58268944
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESC[C@H](Nc1cc(-c2c(N)nn3cccnc23)nc(OCCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN7O/c1-14(16-5-7-17(24)8-6-16)27-19-13-18(28-23(29-19)32-12-9-15-3-4-15)20-21(25)30-31-11-2-10-26-22(20)31/h2,5-8,10-11,13-15H,3-4,9,12H2,1H3,(H2,25,30)(H,27,28,29)/t14-/m0/s1
InChIKeyZKQCLHLFPYZFCM-AWEZNQCLSA-N
XLogP4.26
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 58268944) is 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is C[C@H](Nc1cc(-c2c(N)nn3cccnc23)nc(OCCC2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZKQCLHLFPYZFCM-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-14(16-5-7-17(24)8-6-16)27-19-13-18(28-23(29-19)32-12-9-15-3-4-15)20-21(25)30-31-11-2-10-26-22(20)31/h2,5-8,10-11,13-15H,3-4,9,12H2,1H3,(H2,25,30)(H,27,28,29)/t14-/m0/s1.
What are the key properties of 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 433.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 58268944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).