5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

C15H14ClN3O2 — CID 155482158

IUPAC5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESClc1cc2c(-c3ccoc3)nn(C3CCCCO3)c2cn1
InChIInChI=1S/C15H14ClN3O2/c16-13-7-11-12(8-17-13)19(14-3-1-2-5-21-14)18-15(11)10-4-6-20-9-10/h4,6-9,14H,1-3,5H2
InChIKeyUWCVJGXPTCLPMA-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.04
Rot. Bonds2

About 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 155482158) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID155482158
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESClc1cc2c(-c3ccoc3)nn(C3CCCCO3)c2cn1
InChIInChI=1S/C15H14ClN3O2/c16-13-7-11-12(8-17-13)19(14-3-1-2-5-21-14)18-15(11)10-4-6-20-9-10/h4,6-9,14H,1-3,5H2
InChIKeyUWCVJGXPTCLPMA-UHFFFAOYSA-N
XLogP4.04
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 155482158) is 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is Clc1cc2c(-c3ccoc3)nn(C3CCCCO3)c2cn1.
What is the InChIKey of 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is UWCVJGXPTCLPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-7-11-12(8-17-13)19(14-3-1-2-5-21-14)18-15(11)10-4-6-20-9-10/h4,6-9,14H,1-3,5H2.
What are the key properties of 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 303.75 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 155482158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).