2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

C17H23N7O — CID 86774356

IUPAC2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESCc1nc2n(c1CCNc1ncnc3c1cnn3CCO)CCCC2
InChIInChI=1S/C17H23N7O/c1-12-14(23-7-3-2-4-15(23)22-12)5-6-18-16-13-10-21-24(8-9-25)17(13)20-11-19-16/h10-11,25H,2-9H2,1H3,(H,18,19,20)
InChIKeyNDRGDPCGRDGBBT-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (PubChem CID 86774356) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
PubChem CID86774356
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESCc1nc2n(c1CCNc1ncnc3c1cnn3CCO)CCCC2
InChIInChI=1S/C17H23N7O/c1-12-14(23-7-3-2-4-15(23)22-12)5-6-18-16-13-10-21-24(8-9-25)17(13)20-11-19-16/h10-11,25H,2-9H2,1H3,(H,18,19,20)
InChIKeyNDRGDPCGRDGBBT-UHFFFAOYSA-N
XLogP1.31
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (CID 86774356) is 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is Cc1nc2n(c1CCNc1ncnc3c1cnn3CCO)CCCC2.
What is the InChIKey of 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is NDRGDPCGRDGBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-12-14(23-7-3-2-4-15(23)22-12)5-6-18-16-13-10-21-24(8-9-25)17(13)20-11-19-16/h10-11,25H,2-9H2,1H3,(H,18,19,20).
What are the key properties of 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 341.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 86774356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).