2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine

C19H22N4 — CID 67376288

IUPAC2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
SMILESc1ccc(CN2CC3=C(CN(Cc4ccccn4)CC3)N2)cc1
InChIInChI=1S/C19H22N4/c1-2-6-16(7-3-1)12-23-13-17-9-11-22(15-19(17)21-23)14-18-8-4-5-10-20-18/h1-8,10,21H,9,11-15H2
InChIKeyAYVRFQORQCSOLW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.56
Rot. Bonds4

About 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine

2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 67376288) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID67376288
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
SMILESc1ccc(CN2CC3=C(CN(Cc4ccccn4)CC3)N2)cc1
InChIInChI=1S/C19H22N4/c1-2-6-16(7-3-1)12-23-13-17-9-11-22(15-19(17)21-23)14-18-8-4-5-10-20-18/h1-8,10,21H,9,11-15H2
InChIKeyAYVRFQORQCSOLW-UHFFFAOYSA-N
XLogP2.56
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 141302991
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
2-[6-[(3-chlorophenyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-2-yl]ethanol
CID 141302992
7-benzyl-2,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine
CID 154458291
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371663
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol
CID 97405891

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine (CID 67376288) is 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine is c1ccc(CN2CC3=C(CN(Cc4ccccn4)CC3)N2)cc1.
What is the InChIKey of 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is AYVRFQORQCSOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-6-16(7-3-1)12-23-13-17-9-11-22(15-19(17)21-23)14-18-8-4-5-10-20-18/h1-8,10,21H,9,11-15H2.
What are the key properties of 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 306.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 67376288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).