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

C15H25N3O3 — CID 138808428

IUPAC[5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(CCC1COCCO1)C2
InChIInChI=1S/C15H25N3O3/c1-2-18-15-4-6-17(9-13(15)14(10-19)16-18)5-3-12-11-20-7-8-21-12/h12,19H,2-11H2,1H3
InChIKeyMDRBQWKPYMLMIM-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.56
Rot. Bonds5

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

[5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 138808428) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID138808428
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name[5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(CCC1COCCO1)C2
InChIInChI=1S/C15H25N3O3/c1-2-18-15-4-6-17(9-13(15)14(10-19)16-18)5-3-12-11-20-7-8-21-12/h12,19H,2-11H2,1H3
InChIKeyMDRBQWKPYMLMIM-UHFFFAOYSA-N
XLogP0.56
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 138808428) is [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCn1nc(CO)c2c1CCN(CCC1COCCO1)C2.
What is the InChIKey of [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is MDRBQWKPYMLMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-18-15-4-6-17(9-13(15)14(10-19)16-18)5-3-12-11-20-7-8-21-12/h12,19H,2-11H2,1H3.
What are the key properties of [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 295.38 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(1,4-dioxan-2-yl)ethyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 138808428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).