2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine

C16H22N4 — CID 83870647

IUPAC2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
SMILESCn1nc2c(c1CCN)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H22N4/c1-19-16(7-9-17)14-8-10-20(12-15(14)18-19)11-13-5-3-2-4-6-13/h2-6H,7-12,17H2,1H3
InChIKeyVTOQFGFDPQDDFP-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.48
Rot. Bonds4

About 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine

2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine (PubChem CID 83870647) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
PubChem CID83870647
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
SMILESCn1nc2c(c1CCN)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H22N4/c1-19-16(7-9-17)14-8-10-20(12-15(14)18-19)11-13-5-3-2-4-6-13/h2-6H,7-12,17H2,1H3
InChIKeyVTOQFGFDPQDDFP-UHFFFAOYSA-N
XLogP1.48
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine 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-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine
CID 83870636
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870641
2-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851705
2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine
CID 82379502
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
5-benzyl-3-isocyanato-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 83920308
(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine
CID 83870732
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
CID 83870694

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine (CID 83870647) is 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine is Cn1nc2c(c1CCN)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine?
The InChIKey is VTOQFGFDPQDDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-16(7-9-17)14-8-10-20(12-15(14)18-19)11-13-5-3-2-4-6-13/h2-6H,7-12,17H2,1H3.
What are the key properties of 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine?
2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine is sourced from PubChem (CID 83870647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).