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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Related Compounds

methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
3-bromo-7-methoxy-1-(oxan-2-yl)pyrazolo[4,5-d]pyrimidine
CID 558926
3-bromo-6-chloro-4-methoxy-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine
CID 154934514
5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
CID 166551429
3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
CID 169101637
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
methyl 3-bromo-8-fluoro-6-(oxan-2-yl)thieno[2,3-e]indazole-2-carboxylate
CID 168931532
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
4-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 121228915

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).