4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine

C6H5ClN4 — CID 84653267

IUPAC4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESNc1cnc2[nH]ncc2c1Cl
InChIInChI=1S/C6H5ClN4/c7-5-3-1-10-11-6(3)9-2-4(5)8/h1-2H,8H2,(H,9,10,11)
InChIKeyMMYSBHPKWDLPJH-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.19
Rot. Bonds

About 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine

4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 84653267) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID84653267
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESNc1cnc2[nH]ncc2c1Cl
InChIInChI=1S/C6H5ClN4/c7-5-3-1-10-11-6(3)9-2-4(5)8/h1-2H,8H2,(H,9,10,11)
InChIKeyMMYSBHPKWDLPJH-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine (CID 84653267) is 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine is Nc1cnc2[nH]ncc2c1Cl.
What is the InChIKey of 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is MMYSBHPKWDLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c7-5-3-1-10-11-6(3)9-2-4(5)8/h1-2H,8H2,(H,9,10,11).
What are the key properties of 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine?
4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 168.59 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 84653267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).