3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C23H21FN8O — CID 58515005

IUPAC3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(N2CCCC2)nc2ccccn12
InChIInChI=1S/C23H21FN8O/c24-15-9-14(10-16(33)11-15)20-19-21(25)26-13-27-23(19)32(29-20)12-17-22(30-6-3-4-7-30)28-18-5-1-2-8-31(17)18/h1-2,5,8-11,13,33H,3-4,6-7,12H2,(H2,25,26,27)
InChIKeyVQEXDWIZGKNVNB-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.22
Rot. Bonds4

About 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 58515005) has the molecular formula C23H21FN8O and a molecular weight of 444.47 g/mol. Its IUPAC name is 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID58515005
Molecular FormulaC23H21FN8O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC Name3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(N2CCCC2)nc2ccccn12
InChIInChI=1S/C23H21FN8O/c24-15-9-14(10-16(33)11-15)20-19-21(25)26-13-27-23(19)32(29-20)12-17-22(30-6-3-4-7-30)28-18-5-1-2-8-31(17)18/h1-2,5,8-11,13,33H,3-4,6-7,12H2,(H2,25,26,27)
InChIKeyVQEXDWIZGKNVNB-UHFFFAOYSA-N
XLogP3.22
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 58515005) is 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(N2CCCC2)nc2ccccn12.
What is the InChIKey of 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is VQEXDWIZGKNVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O/c24-15-9-14(10-16(33)11-15)20-19-21(25)26-13-27-23(19)32(29-20)12-17-22(30-6-3-4-7-30)28-18-5-1-2-8-31(17)18/h1-2,5,8-11,13,33H,3-4,6-7,12H2,(H2,25,26,27).
What are the key properties of 3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 444.47 g/mol, XLogP of 3.22, 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-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 58515005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).