3-[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 123625990

IUPAC3-[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(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)
InChIKeyASSXRHVFHKHKHM-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.94
Rot. Bonds5

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

3-[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 123625990) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-[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-[1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID123625990
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name3-[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(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)
InChIKeyASSXRHVFHKHKHM-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gandotinib
CID 46213929
Apy0201
CID 56927660
6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
4-(4-(3-(1H-Pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)morpholine
CID 60182393
Il-94
CID 73348907
3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168278835
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
Pyrazolo[1,5-a]-1,3,5-triazine, 13-3
CID 42618209
6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168279513

Frequently Asked Questions

What is the IUPAC name of 3-[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-[1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 123625990) is 3-[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-[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-[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(C)c4ccc(F)cc4)c3n2)n[nH]1.
What is the InChIKey of 3-[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-UHFFFAOYSA-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).
What are the key properties of 3-[1-(4-fluorophenyl)ethyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-[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-[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 123625990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).