2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol

C17H23N7O — CID 53322964

IUPAC2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCn1cc(-c2cnn3c(N)c(CCO)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H23N7O/c1-23-10-12(8-20-23)14-9-21-24-16(18)13(4-6-25)15(22-17(14)24)11-3-2-5-19-7-11/h8-11,19,25H,2-7,18H2,1H3
InChIKeyUDYXTWRJETXAKK-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.71
Rot. Bonds4

About 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol

2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol (PubChem CID 53322964) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
PubChem CID53322964
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCn1cc(-c2cnn3c(N)c(CCO)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H23N7O/c1-23-10-12(8-20-23)14-9-21-24-16(18)13(4-6-25)15(22-17(14)24)11-3-2-5-19-7-11/h8-11,19,25H,2-7,18H2,1H3
InChIKeyUDYXTWRJETXAKK-UHFFFAOYSA-N
XLogP0.71
TPSA106.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol (CID 53322964) is 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol is Cn1cc(-c2cnn3c(N)c(CCO)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
The InChIKey is UDYXTWRJETXAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-23-10-12(8-20-23)14-9-21-24-16(18)13(4-6-25)15(22-17(14)24)11-3-2-5-19-7-11/h8-11,19,25H,2-7,18H2,1H3.
What are the key properties of 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol has a molecular weight of 341.42 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 53322964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).