5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C19H22ClN5O4 — CID 121437184

IUPAC5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN(OC1CCOC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H22ClN5O4/c1-24(29-14-6-8-28-11-14)18(26)17-15-10-25(7-5-16(15)22-23-17)19(27)21-13-4-2-3-12(20)9-13/h2-4,9,14H,5-8,10-11H2,1H3,(H,21,27)(H,22,23)
InChIKeyVYMYKLWMXAXPNQ-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.45
Rot. Bonds4

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

5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 121437184) has the molecular formula C19H22ClN5O4 and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID121437184
Molecular FormulaC19H22ClN5O4
Molecular Weight419.87 g/mol
Exact Mass419.14
IUPAC Name5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN(OC1CCOC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H22ClN5O4/c1-24(29-14-6-8-28-11-14)18(26)17-15-10-25(7-5-16(15)22-23-17)19(27)21-13-4-2-3-12(20)9-13/h2-4,9,14H,5-8,10-11H2,1H3,(H,21,27)(H,22,23)
InChIKeyVYMYKLWMXAXPNQ-UHFFFAOYSA-N
XLogP2.45
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.45
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-methyl-N3-(1-methylazetidin-3-yl)oxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437182
N5-(3-chlorophenyl)-N3-isopropyl-N3-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437183
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
5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 166627483

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-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-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 121437184) is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-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-(oxolan-3-yloxy)-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-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CN(OC1CCOC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is VYMYKLWMXAXPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O4/c1-24(29-14-6-8-28-11-14)18(26)17-15-10-25(7-5-16(15)22-23-17)19(27)21-13-4-2-3-12(20)9-13/h2-4,9,14H,5-8,10-11H2,1H3,(H,21,27)(H,22,23).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 419.87 g/mol, XLogP of 2.45, 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-(oxolan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 121437184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).