3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

C23H26FN7O — CID 118299387

IUPAC3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(N3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cc4)c3n2)n[nH]1
InChIInChI=1S/C23H26FN7O/c1-14-12-20(28-27-14)25-19-13-21(30-8-10-32-11-9-30)31-23(26-19)22(16(3)29-31)15(2)17-4-6-18(24)7-5-17/h4-7,12-13,15H,8-11H2,1-3H3,(H2,25,26,27,28)/t15-/m0/s1
InChIKeyASSXRHVFHKHKHM-HNNXBMFYSA-N
MW435.51 g/mol
LogP3.94
Rot. Bonds5

About 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118299387) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118299387
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(Nc2cc(N3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cc4)c3n2)n[nH]1
InChIInChI=1S/C23H26FN7O/c1-14-12-20(28-27-14)25-19-13-21(30-8-10-32-11-9-30)31-23(26-19)22(16(3)29-31)15(2)17-4-6-18(24)7-5-17/h4-7,12-13,15H,8-11H2,1-3H3,(H2,25,26,27,28)/t15-/m0/s1
InChIKeyASSXRHVFHKHKHM-HNNXBMFYSA-N
XLogP3.94
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 118299387) is 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1cc(Nc2cc(N3CCOCC3)n3nc(C)c([C@@H](C)c4ccc(F)cc4)c3n2)n[nH]1.
What is the InChIKey of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ASSXRHVFHKHKHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-14-12-20(28-27-14)25-19-13-21(30-8-10-32-11-9-30)31-23(26-19)22(16(3)29-31)15(2)17-4-6-18(24)7-5-17/h4-7,12-13,15H,8-11H2,1-3H3,(H2,25,26,27,28)/t15-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 435.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118299387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).