6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine

C11H13ClN4O — CID 171066775

IUPAC6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
SMILESNc1cc(Cl)nc2c1cnn2C1CCCCO1
InChIInChI=1S/C11H13ClN4O/c12-9-5-8(13)7-6-14-16(11(7)15-9)10-3-1-2-4-17-10/h5-6,10H,1-4H2,(H2,13,15)
InChIKeyWSCHUZDEGPPNHY-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.37
Rot. Bonds1

About 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine

6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine (PubChem CID 171066775) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine.

Molecular Properties

Compound Name6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
PubChem CID171066775
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
SMILESNc1cc(Cl)nc2c1cnn2C1CCCCO1
InChIInChI=1S/C11H13ClN4O/c12-9-5-8(13)7-6-14-16(11(7)15-9)10-3-1-2-4-17-10/h5-6,10H,1-4H2,(H2,13,15)
InChIKeyWSCHUZDEGPPNHY-UHFFFAOYSA-N
XLogP2.37
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
6-chloro-N-cyclohexyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118518117
6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 86722868
1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine
CID 171067405
6-chloro-4-ethynyl-1-(oxan-2-yl)indazole
CID 134298715
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
8-[4-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-one
CID 177313253
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine?
The IUPAC name of 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine (CID 171066775) is 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine.
What is the SMILES notation for 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine?
The canonical SMILES for 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine is Nc1cc(Cl)nc2c1cnn2C1CCCCO1.
What is the InChIKey of 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine?
The InChIKey is WSCHUZDEGPPNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-9-5-8(13)7-6-14-16(11(7)15-9)10-3-1-2-4-17-10/h5-6,10H,1-4H2,(H2,13,15).
What are the key properties of 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine?
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine has a molecular weight of 252.70 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine is sourced from PubChem (CID 171066775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).