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'}

Analyze 6-chloro-3-(1-methylpyrazol-4-yl)-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

2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 89407733
3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 143866443
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
CID 171066775
6-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 86722877
3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile
CID 145444213
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 165117179
N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 134455854
5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 155482158
3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
CID 118988228
3-chloro-9-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[3]benzoxepino[4,5-b]pyridine
CID 166173787
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
6-isocyano-3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 167587379

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).