2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C26H23ClN6O2 — CID 58358189

IUPAC2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN(Cc1ccccn1)Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1cccnc1
InChIInChI=1S/C26H23ClN6O2/c1-31(16-19-8-4-5-12-29-19)17-23-25-21(13-24(34)32(23)15-18-7-6-11-28-14-18)30-33(26(25)35)22-10-3-2-9-20(22)27/h2-14,30H,15-17H2,1H3
InChIKeyAFFCSEJJKWBHBQ-UHFFFAOYSA-N
MW486.96 g/mol
LogP3.60
Rot. Bonds7

About 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358189) has the molecular formula C26H23ClN6O2 and a molecular weight of 486.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358189
Molecular FormulaC26H23ClN6O2
Molecular Weight486.96 g/mol
Exact Mass486.16
IUPAC Name2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCN(Cc1ccccn1)Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1cccnc1
InChIInChI=1S/C26H23ClN6O2/c1-31(16-19-8-4-5-12-29-19)17-23-25-21(13-24(34)32(23)15-18-7-6-11-28-14-18)30-33(26(25)35)22-10-3-2-9-20(22)27/h2-14,30H,15-17H2,1H3
InChIKeyAFFCSEJJKWBHBQ-UHFFFAOYSA-N
XLogP3.60
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358189) is 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CN(Cc1ccccn1)Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1cccnc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is AFFCSEJJKWBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2/c1-31(16-19-8-4-5-12-29-19)17-23-25-21(13-24(34)32(23)15-18-7-6-11-28-14-18)30-33(26(25)35)22-10-3-2-9-20(22)27/h2-14,30H,15-17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 486.96 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).