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

C20H24ClN5O4 — CID 166627483

IUPAC5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN(OC1CCCOC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C20H24ClN5O4/c1-25(30-15-6-3-9-29-12-15)19(27)18-16-11-26(8-7-17(16)23-24-18)20(28)22-14-5-2-4-13(21)10-14/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,22,28)(H,23,24)
InChIKeyDRPDXAYOJDMJFN-UHFFFAOYSA-N
MW433.90 g/mol
LogP2.84
Rot. Bonds4

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

5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 166627483) has the molecular formula C20H24ClN5O4 and a molecular weight of 433.90 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-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-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID166627483
Molecular FormulaC20H24ClN5O4
Molecular Weight433.90 g/mol
Exact Mass433.15
IUPAC Name5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCN(OC1CCCOC1)C(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C20H24ClN5O4/c1-25(30-15-6-3-9-29-12-15)19(27)18-16-11-26(8-7-17(16)23-24-18)20(28)22-14-5-2-4-13(21)10-14/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,22,28)(H,23,24)
InChIKeyDRPDXAYOJDMJFN-UHFFFAOYSA-N
XLogP2.84
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-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-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 166627483) is 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-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-(oxan-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-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CN(OC1CCCOC1)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-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is DRPDXAYOJDMJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O4/c1-25(30-15-6-3-9-29-12-15)19(27)18-16-11-26(8-7-17(16)23-24-18)20(28)22-14-5-2-4-13(21)10-14/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H,22,28)(H,23,24).
What are the key properties of 5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
5-N-(3-chlorophenyl)-3-N-methyl-3-N-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 433.90 g/mol, XLogP of 2.84, 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-(oxan-3-yloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 166627483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).