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

C15H16ClN5O — CID 86722868

IUPAC6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2nn(C3CCCCO3)c3nc(Cl)ccc23)cn1
InChIInChI=1S/C15H16ClN5O/c1-20-9-10(8-17-20)14-11-5-6-12(16)18-15(11)21(19-14)13-4-2-3-7-22-13/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyYQLZCVCXQWIVCS-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.18
Rot. Bonds2

About 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine

6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 86722868) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID86722868
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2nn(C3CCCCO3)c3nc(Cl)ccc23)cn1
InChIInChI=1S/C15H16ClN5O/c1-20-9-10(8-17-20)14-11-5-6-12(16)18-15(11)21(19-14)13-4-2-3-7-22-13/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyYQLZCVCXQWIVCS-UHFFFAOYSA-N
XLogP3.18
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (CID 86722868) is 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is Cn1cc(-c2nn(C3CCCCO3)c3nc(Cl)ccc23)cn1.
What is the InChIKey of 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is YQLZCVCXQWIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-20-9-10(8-17-20)14-11-5-6-12(16)18-15(11)21(19-14)13-4-2-3-7-22-13/h5-6,8-9,13H,2-4,7H2,1H3.
What are the key properties of 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 317.78 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 86722868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).