N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide

C26H26FN7O2 — CID 149474081

IUPACN-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1c(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2ccccn12
InChIInChI=1S/C26H26FN7O2/c1-4-8-32(16(3)35)26-21(13-19-7-5-6-9-33(19)26)15(2)34-25-22(24(28)29-14-30-25)23(31-34)17-10-18(27)12-20(36)11-17/h5-7,9-15,36H,4,8H2,1-3H3,(H2,28,29,30)
InChIKeyZBYAHMRUSRJURD-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.55
Rot. Bonds6

About N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide

N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide (PubChem CID 149474081) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide
PubChem CID149474081
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC NameN-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1c(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2ccccn12
InChIInChI=1S/C26H26FN7O2/c1-4-8-32(16(3)35)26-21(13-19-7-5-6-9-33(19)26)15(2)34-25-22(24(28)29-14-30-25)23(31-34)17-10-18(27)12-20(36)11-17/h5-7,9-15,36H,4,8H2,1-3H3,(H2,28,29,30)
InChIKeyZBYAHMRUSRJURD-UHFFFAOYSA-N
XLogP4.55
TPSA114.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 118572891
3-[4-amino-1-[1-[3-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573395
3-[4-amino-1-[1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573218
3-[4-amino-1-[1-[3-[(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573110
3-(3-amino-5-fluorophenyl)-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118573005
3-[4-amino-1-[1-[7-[3-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazin-6-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118572928
3-[4-amino-1-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 58515171
4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
CID 137017647
3-[3-(2,3-dihydro-1H-tetrazol-5-yl)-5-fluorophenyl]-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118612200
3-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenylchromen-2-one
CID 122621160
N-[2-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-benzylpropanamide
CID 118063544
3-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(3,3,5,5-tetramethylcyclohexen-1-yl)isochromen-1-one
CID 159194752

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide?
The IUPAC name of N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide (CID 149474081) is N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide.
What is the SMILES notation for N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide?
The canonical SMILES for N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide is CCCN(C(C)=O)c1c(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2ccccn12.
What is the InChIKey of N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide?
The InChIKey is ZBYAHMRUSRJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-4-8-32(16(3)35)26-21(13-19-7-5-6-9-33(19)26)15(2)34-25-22(24(28)29-14-30-25)23(31-34)17-10-18(27)12-20(36)11-17/h5-7,9-15,36H,4,8H2,1-3H3,(H2,28,29,30).
What are the key properties of N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide?
N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide has a molecular weight of 487.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide is sourced from PubChem (CID 149474081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).