3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

C12H14BrN3O2 — CID 121228857

IUPAC3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1nccc2c1c(Br)nn2C1CCCCO1
InChIInChI=1S/C12H14BrN3O2/c1-17-12-10-8(5-6-14-12)16(15-11(10)13)9-4-2-3-7-18-9/h5-6,9H,2-4,7H2,1H3
InChIKeyIWJGQTZLKPOSAR-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.90
Rot. Bonds2

About 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 121228857) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID121228857
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESCOc1nccc2c1c(Br)nn2C1CCCCO1
InChIInChI=1S/C12H14BrN3O2/c1-17-12-10-8(5-6-14-12)16(15-11(10)13)9-4-2-3-7-18-9/h5-6,9H,2-4,7H2,1H3
InChIKeyIWJGQTZLKPOSAR-UHFFFAOYSA-N
XLogP2.90
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (CID 121228857) is 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is COc1nccc2c1c(Br)nn2C1CCCCO1.
What is the InChIKey of 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is IWJGQTZLKPOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-17-12-10-8(5-6-14-12)16(15-11(10)13)9-4-2-3-7-18-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 312.17 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 121228857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).