4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine

C14H14N4O2 — CID 159386061

IUPAC4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine
SMILESCOc1nccc2c1C(c1cnn(C3COC3)c1)=NC2
InChIInChI=1S/C14H14N4O2/c1-19-14-12-9(2-3-15-14)4-16-13(12)10-5-17-18(6-10)11-7-20-8-11/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyMBHCSXAKWXAOPX-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.21
Rot. Bonds3

About 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine

4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine (PubChem CID 159386061) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine
PubChem CID159386061
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine
SMILESCOc1nccc2c1C(c1cnn(C3COC3)c1)=NC2
InChIInChI=1S/C14H14N4O2/c1-19-14-12-9(2-3-15-14)4-16-13(12)10-5-17-18(6-10)11-7-20-8-11/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyMBHCSXAKWXAOPX-UHFFFAOYSA-N
XLogP1.21
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine (CID 159386061) is 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine is COc1nccc2c1C(c1cnn(C3COC3)c1)=NC2.
What is the InChIKey of 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is MBHCSXAKWXAOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-14-12-9(2-3-15-14)4-16-13(12)10-5-17-18(6-10)11-7-20-8-11/h2-3,5-6,11H,4,7-8H2,1H3.
What are the key properties of 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine?
4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 270.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 159386061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).