3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C24H18FN7OS — CID 118572900

IUPAC3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(c1cc2ccccn2c1-c1cscn1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C24H18FN7OS/c1-13(18-9-16-4-2-3-5-31(16)22(18)19-10-34-12-29-19)32-24-20(23(26)27-11-28-24)21(30-32)14-6-15(25)8-17(33)7-14/h2-13,33H,1H3,(H2,26,27,28)
InChIKeyGHKYQSIPCSPGNX-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.91
Rot. Bonds4

About 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 118572900) has the molecular formula C24H18FN7OS and a molecular weight of 471.52 g/mol. Its IUPAC name is 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID118572900
Molecular FormulaC24H18FN7OS
Molecular Weight471.52 g/mol
Exact Mass471.13
IUPAC Name3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(c1cc2ccccn2c1-c1cscn1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C24H18FN7OS/c1-13(18-9-16-4-2-3-5-31(16)22(18)19-10-34-12-29-19)32-24-20(23(26)27-11-28-24)21(30-32)14-6-15(25)8-17(33)7-14/h2-13,33H,1H3,(H2,26,27,28)
InChIKeyGHKYQSIPCSPGNX-UHFFFAOYSA-N
XLogP4.91
TPSA107.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol 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

4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
CID 70689058
N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70697381
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 151278145
2-[3-(2,2,6,6-Tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,3-thiazol-2-yl)phenol
CID 156699201
3-[4-Amino-1-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515191
3-Methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenol
CID 44589221
3-[4-Amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515092
3-[4-Amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515177
US11786528, Example 9
CID 146268718
US11786528, Example 5
CID 146268726
3-[4-Amino-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 58515199
2-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one
CID 58158179

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 118572900) is 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is CC(c1cc2ccccn2c1-c1cscn1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is GHKYQSIPCSPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7OS/c1-13(18-9-16-4-2-3-5-31(16)22(18)19-10-34-12-29-19)32-24-20(23(26)27-11-28-24)21(30-32)14-6-15(25)8-17(33)7-14/h2-13,33H,1H3,(H2,26,27,28).
What are the key properties of 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 471.52 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[1-[3-(1,3-thiazol-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 118572900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).