2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine

C10H13ClN4 — CID 83892061

IUPAC2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
SMILESCc1nn(C)c2ncc(CCN)c(Cl)c12
InChIInChI=1S/C10H13ClN4/c1-6-8-9(11)7(3-4-12)5-13-10(8)15(2)14-6/h5H,3-4,12H2,1-2H3
InChIKeyPGWZTEMODGIKBP-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.43
Rot. Bonds2

About 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine

2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine (PubChem CID 83892061) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
PubChem CID83892061
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
SMILESCc1nn(C)c2ncc(CCN)c(Cl)c12
InChIInChI=1S/C10H13ClN4/c1-6-8-9(11)7(3-4-12)5-13-10(8)15(2)14-6/h5H,3-4,12H2,1-2H3
InChIKeyPGWZTEMODGIKBP-UHFFFAOYSA-N
XLogP1.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 70807283
5-ethyl-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
CID 142181984
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 13125572
4-(2-aminoethylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86691177
2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine
CID 84662341
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 130652726
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 142159249
N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 58248810
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729
2-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 80634263
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine (CID 83892061) is 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine is Cc1nn(C)c2ncc(CCN)c(Cl)c12.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
The InChIKey is PGWZTEMODGIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-6-8-9(11)7(3-4-12)5-13-10(8)15(2)14-6/h5H,3-4,12H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine?
2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine has a molecular weight of 224.69 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine is sourced from PubChem (CID 83892061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).