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

C11H11ClIN3O — CID 121228950

IUPAC5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESClc1cnc2c(c1)c(I)nn2C1CCCCO1
InChIInChI=1S/C11H11ClIN3O/c12-7-5-8-10(13)15-16(11(8)14-6-7)9-3-1-2-4-17-9/h5-6,9H,1-4H2
InChIKeyFPADHRCNJAVPFO-UHFFFAOYSA-N
MW363.59 g/mol
LogP3.39
Rot. Bonds1

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

5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 121228950) has the molecular formula C11H11ClIN3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID121228950
Molecular FormulaC11H11ClIN3O
Molecular Weight363.59 g/mol
Exact Mass362.96
IUPAC Name5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESClc1cnc2c(c1)c(I)nn2C1CCCCO1
InChIInChI=1S/C11H11ClIN3O/c12-7-5-8-10(13)15-16(11(8)14-6-7)9-3-1-2-4-17-9/h5-6,9H,1-4H2
InChIKeyFPADHRCNJAVPFO-UHFFFAOYSA-N
XLogP3.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-5-methyl-1-[(2R)-oxan-2-yl]pyrazolo[3,4-b]pyrazine
CID 125418917
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968
3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
CID 118988228
3-ethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol
CID 171465891
4-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 121228915
3-iodo-6-nitro-1-(oxan-2-yl)indazole
CID 23577850
6-chloro-3-iodo-4-methylsulfanyl-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine
CID 178107529
6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 170351982
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (CID 121228950) is 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is Clc1cnc2c(c1)c(I)nn2C1CCCCO1.
What is the InChIKey of 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is FPADHRCNJAVPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN3O/c12-7-5-8-10(13)15-16(11(8)14-6-7)9-3-1-2-4-17-9/h5-6,9H,1-4H2.
What are the key properties of 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 363.59 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 121228950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).