5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol

C26H22N8O — CID 118573056

IUPAC5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol
SMILESCc1cc(-c2c(C(C)n3nc(-c4cncc(O)c4)c4c(N)ncnc43)cc3ccccn23)ccn1
InChIInChI=1S/C26H22N8O/c1-15-9-17(6-7-29-15)24-21(11-19-5-3-4-8-33(19)24)16(2)34-26-22(25(27)30-14-31-26)23(32-34)18-10-20(35)13-28-12-18/h3-14,16,35H,1-2H3,(H2,27,30,31)
InChIKeyBOEMPEHXKDJIFU-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.41
Rot. Bonds4

About 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol

5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol (PubChem CID 118573056) has the molecular formula C26H22N8O and a molecular weight of 462.52 g/mol. Its IUPAC name is 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol
PubChem CID118573056
Molecular FormulaC26H22N8O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC Name5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol
SMILESCc1cc(-c2c(C(C)n3nc(-c4cncc(O)c4)c4c(N)ncnc43)cc3ccccn23)ccn1
InChIInChI=1S/C26H22N8O/c1-15-9-17(6-7-29-15)24-21(11-19-5-3-4-8-33(19)24)16(2)34-26-22(25(27)30-14-31-26)23(32-34)18-10-20(35)13-28-12-18/h3-14,16,35H,1-2H3,(H2,27,30,31)
InChIKeyBOEMPEHXKDJIFU-UHFFFAOYSA-N
XLogP4.41
TPSA120.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol?
The IUPAC name of 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol (CID 118573056) is 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol is Cc1cc(-c2c(C(C)n3nc(-c4cncc(O)c4)c4c(N)ncnc43)cc3ccccn23)ccn1.
What is the InChIKey of 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol?
The InChIKey is BOEMPEHXKDJIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O/c1-15-9-17(6-7-29-15)24-21(11-19-5-3-4-8-33(19)24)16(2)34-26-22(25(27)30-14-31-26)23(32-34)18-10-20(35)13-28-12-18/h3-14,16,35H,1-2H3,(H2,27,30,31).
What are the key properties of 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol?
5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol has a molecular weight of 462.52 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-[1-[3-(2-methyl-4-pyridinyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-3-ol is sourced from PubChem (CID 118573056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).