5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C19H23ClN6O3 — CID 121437182

IUPAC5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN1CC(ON(C)C(=O)c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)C1
InChIInChI=1S/C19H23ClN6O3/c1-24-9-14(10-24)29-25(2)18(27)17-15-11-26(7-6-16(15)22-23-17)19(28)21-13-5-3-4-12(20)8-13/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,21,28)(H,22,23)
InChIKeyKIMDVDXYBVMTDY-UHFFFAOYSA-N
MW418.89 g/mol
LogP1.97
Rot. Bonds4

About 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 121437182) has the molecular formula C19H23ClN6O3 and a molecular weight of 418.89 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID121437182
Molecular FormulaC19H23ClN6O3
Molecular Weight418.89 g/mol
Exact Mass418.15
IUPAC Name5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN1CC(ON(C)C(=O)c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)C1
InChIInChI=1S/C19H23ClN6O3/c1-24-9-14(10-24)29-25(2)18(27)17-15-11-26(7-6-16(15)22-23-17)19(28)21-13-5-3-4-12(20)8-13/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,21,28)(H,22,23)
InChIKeyKIMDVDXYBVMTDY-UHFFFAOYSA-N
XLogP1.97
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435412
N5-(3-chlorophenyl)-N3-methoxy-N3-methyl-1,4,6,7-tetrahydropyrazolo [4,3-c]pyridine-3,5-dicarboxamide
CID 121435429
N-(3-chlorophenyl)-3-(isoxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121437164
N5-(3-chlorophenyl)-N3-ethyl-N3-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437168
N5-(3-chlorophenyl)-N3-isopropoxy-N3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437175
N5-(3-chlorophenyl)-N3-isopropyl-N3-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437183
N5-(3-chlorophenyl)-N3-methyl-N3-tetrahydrofuran-3-yloxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437184
5-N-(3-chlorophenyl)-3-N-(2-hydroxyethoxy)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121445212
5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121445216
5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121445217
5-N-(3-chlorophenyl)-3-N-cyclobutyloxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121445220
(11S)-N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-13-methyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 141725387

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 121437182) is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CN1CC(ON(C)C(=O)c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)C1.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is KIMDVDXYBVMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O3/c1-24-9-14(10-24)29-25(2)18(27)17-15-11-26(7-6-16(15)22-23-17)19(28)21-13-5-3-4-12(20)8-13/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,21,28)(H,22,23).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 418.89 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 121437182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).