3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C21H22N6O2 — CID 66829160

IUPAC3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCCn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1
InChIInChI=1S/C21H22N6O2/c1-2-27-13-15(12-24-27)18-11-14(3-7-22-18)20-19-17(25-26-20)4-8-23-21(19)29-16-5-9-28-10-6-16/h3-4,7-8,11-13,16H,2,5-6,9-10H2,1H3,(H,25,26)
InChIKeyXHBUJGSFUBHTTJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.46
Rot. Bonds5

About 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66829160) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66829160
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCCn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1
InChIInChI=1S/C21H22N6O2/c1-2-27-13-15(12-24-27)18-11-14(3-7-22-18)20-19-17(25-26-20)4-8-23-21(19)29-16-5-9-28-10-6-16/h3-4,7-8,11-13,16H,2,5-6,9-10H2,1H3,(H,25,26)
InChIKeyXHBUJGSFUBHTTJ-UHFFFAOYSA-N
XLogP3.46
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66829160) is 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is CCn1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)cn1.
What is the InChIKey of 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is XHBUJGSFUBHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-2-27-13-15(12-24-27)18-11-14(3-7-22-18)20-19-17(25-26-20)4-8-23-21(19)29-16-5-9-28-10-6-16/h3-4,7-8,11-13,16H,2,5-6,9-10H2,1H3,(H,25,26).
What are the key properties of 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 390.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66829160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).