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

C23H26FN7O — CID 118295449

IUPAC3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C23H26FN7O/c1-15(17-4-6-18(24)7-5-17)22-16(2)28-31-21(30-8-10-32-11-9-30)12-19(27-23(22)31)26-20-13-29(3)14-25-20/h4-7,12-15H,8-11H2,1-3H3,(H,26,27)/t15-/m0/s1
InChIKeySQQHUTKGXZHHOW-HNNXBMFYSA-N
MW435.51 g/mol
LogP3.64
Rot. Bonds5

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

3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118295449) 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-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118295449
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C23H26FN7O/c1-15(17-4-6-18(24)7-5-17)22-16(2)28-31-21(30-8-10-32-11-9-30)12-19(27-23(22)31)26-20-13-29(3)14-25-20/h4-7,12-15H,8-11H2,1-3H3,(H,26,27)/t15-/m0/s1
InChIKeySQQHUTKGXZHHOW-HNNXBMFYSA-N
XLogP3.64
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 118295449) is 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-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-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1nn2c(N3CCOCC3)cc(Nc3cn(C)cn3)nc2c1[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is SQQHUTKGXZHHOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-15(17-4-6-18(24)7-5-17)22-16(2)28-31-21(30-8-10-32-11-9-30)12-19(27-23(22)31)26-20-13-29(3)14-25-20/h4-7,12-15H,8-11H2,1-3H3,(H,26,27)/t15-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 435.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-N-(1-methylimidazol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118295449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).