1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine

C16H18N4 — CID 43725592

IUPAC1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCCc3ccccc3)cc12
InChIInChI=1S/C16H18N4/c1-12-15-10-14(11-18-16(15)20(2)19-12)17-9-8-13-6-4-3-5-7-13/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyXTFAVNRAIXGKMK-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.93
Rot. Bonds4

About 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine

1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine (PubChem CID 43725592) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
PubChem CID43725592
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCCc3ccccc3)cc12
InChIInChI=1S/C16H18N4/c1-12-15-10-14(11-18-16(15)20(2)19-12)17-9-8-13-6-4-3-5-7-13/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyXTFAVNRAIXGKMK-UHFFFAOYSA-N
XLogP2.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine (CID 43725592) is 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NCCc3ccccc3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is XTFAVNRAIXGKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-15-10-14(11-18-16(15)20(2)19-12)17-9-8-13-6-4-3-5-7-13/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine?
1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 266.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 43725592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).