5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H25N5O2 — CID 77094255

IUPAC5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc2nc(CN3CCc4[nH]nc(C(=O)N(C)C)c4C3)ccc2c1
InChIInChI=1S/C21H25N5O2/c1-4-28-16-7-8-18-14(11-16)5-6-15(22-18)12-26-10-9-19-17(13-26)20(24-23-19)21(27)25(2)3/h5-8,11H,4,9-10,12-13H2,1-3H3,(H,23,24)
InChIKeyKDOANHHRNZEDOT-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.62
Rot. Bonds5

About 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 77094255) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID77094255
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc2nc(CN3CCc4[nH]nc(C(=O)N(C)C)c4C3)ccc2c1
InChIInChI=1S/C21H25N5O2/c1-4-28-16-7-8-18-14(11-16)5-6-15(22-18)12-26-10-9-19-17(13-26)20(24-23-19)21(27)25(2)3/h5-8,11H,4,9-10,12-13H2,1-3H3,(H,23,24)
InChIKeyKDOANHHRNZEDOT-UHFFFAOYSA-N
XLogP2.62
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 77094255) is 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCOc1ccc2nc(CN3CCc4[nH]nc(C(=O)N(C)C)c4C3)ccc2c1.
What is the InChIKey of 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KDOANHHRNZEDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-28-16-7-8-18-14(11-16)5-6-15(22-18)12-26-10-9-19-17(13-26)20(24-23-19)21(27)25(2)3/h5-8,11H,4,9-10,12-13H2,1-3H3,(H,23,24).
What are the key properties of 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 77094255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).