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

C17H23N7O — CID 53325960

IUPAC2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCn1cc(-c2cnn3c(NCCO)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H23N7O/c1-23-11-13(9-20-23)14-10-21-24-16(19-5-6-25)7-15(22-17(14)24)12-3-2-4-18-8-12/h7,9-12,18-19,25H,2-6,8H2,1H3
InChIKeyAJHKGIAMVILSQC-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.00
Rot. Bonds5

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

2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (PubChem CID 53325960) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
PubChem CID53325960
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCn1cc(-c2cnn3c(NCCO)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H23N7O/c1-23-11-13(9-20-23)14-10-21-24-16(19-5-6-25)7-15(22-17(14)24)12-3-2-4-18-8-12/h7,9-12,18-19,25H,2-6,8H2,1H3
InChIKeyAJHKGIAMVILSQC-UHFFFAOYSA-N
XLogP1.00
TPSA92.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (CID 53325960) is 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is Cn1cc(-c2cnn3c(NCCO)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The InChIKey is AJHKGIAMVILSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-23-11-13(9-20-23)14-10-21-24-16(19-5-6-25)7-15(22-17(14)24)12-3-2-4-18-8-12/h7,9-12,18-19,25H,2-6,8H2,1H3.
What are the key properties of 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol has a molecular weight of 341.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 53325960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).