2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine

C19H21ClN4 — CID 141302991

IUPAC2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
SMILESClc1ccc(CN2CCC3=C(C2)NN(Cc2ccccc2)C3)cn1
InChIInChI=1S/C19H21ClN4/c20-19-7-6-16(10-21-19)11-23-9-8-17-13-24(22-18(17)14-23)12-15-4-2-1-3-5-15/h1-7,10,22H,8-9,11-14H2
InChIKeyFYMBHWXKXWHIFZ-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.22
Rot. Bonds4

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

2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 141302991) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID141302991
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
SMILESClc1ccc(CN2CCC3=C(C2)NN(Cc2ccccc2)C3)cn1
InChIInChI=1S/C19H21ClN4/c20-19-7-6-16(10-21-19)11-23-9-8-17-13-24(22-18(17)14-23)12-15-4-2-1-3-5-15/h1-7,10,22H,8-9,11-14H2
InChIKeyFYMBHWXKXWHIFZ-UHFFFAOYSA-N
XLogP3.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 67376288
2-[6-[(3-chlorophenyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-2-yl]ethanol
CID 141302992
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
7-[(6-chloro-3-pyridinyl)methyl]-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 24935536
1-[(6-chloro-3-pyridinyl)methyl]-4-(1-phenylethyl)piperazine
CID 59382116
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
6-benzyl-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-2-one;ethane
CID 144859798
7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 91140295
2-(4-aminophenyl)-7-[(6-chloro-3-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866778

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine (CID 141302991) is 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine is Clc1ccc(CN2CCC3=C(C2)NN(Cc2ccccc2)C3)cn1.
What is the InChIKey of 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is FYMBHWXKXWHIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-19-7-6-16(10-21-19)11-23-9-8-17-13-24(22-18(17)14-23)12-15-4-2-1-3-5-15/h1-7,10,22H,8-9,11-14H2.
What are the key properties of 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 340.86 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(6-chloro-3-pyridinyl)methyl]-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 141302991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).