[5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

C17H24N6O2 — CID 118778507

IUPAC[5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(c1cc(C3CCOC3)nc(N)n1)C2
InChIInChI=1S/C17H24N6O2/c1-2-23-15-3-5-22(8-12(15)14(9-24)21-23)16-7-13(19-17(18)20-16)11-4-6-25-10-11/h7,11,24H,2-6,8-10H2,1H3,(H2,18,19,20)
InChIKeyQINPIAWJXIRTIL-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.83
Rot. Bonds4

About [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

[5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 118778507) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID118778507
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(c1cc(C3CCOC3)nc(N)n1)C2
InChIInChI=1S/C17H24N6O2/c1-2-23-15-3-5-22(8-12(15)14(9-24)21-23)16-7-13(19-17(18)20-16)11-4-6-25-10-11/h7,11,24H,2-6,8-10H2,1H3,(H2,18,19,20)
InChIKeyQINPIAWJXIRTIL-UHFFFAOYSA-N
XLogP0.83
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 118778507) is [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCn1nc(CO)c2c1CCN(c1cc(C3CCOC3)nc(N)n1)C2.
What is the InChIKey of [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is QINPIAWJXIRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-23-15-3-5-22(8-12(15)14(9-24)21-23)16-7-13(19-17(18)20-16)11-4-6-25-10-11/h7,11,24H,2-6,8-10H2,1H3,(H2,18,19,20).
What are the key properties of [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 344.42 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 118778507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).