4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C18H20N4O2 — CID 82212440

IUPAC4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCN(CCc1ccncc1)Cc1cccn2ncc(C(=O)O)c12
InChIInChI=1S/C18H20N4O2/c1-2-21(11-7-14-5-8-19-9-6-14)13-15-4-3-10-22-17(15)16(12-20-22)18(23)24/h3-6,8-10,12H,2,7,11,13H2,1H3,(H,23,24)
InChIKeyDSVNYDCQEIZNOS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.49
Rot. Bonds7

About 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 82212440) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID82212440
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCN(CCc1ccncc1)Cc1cccn2ncc(C(=O)O)c12
InChIInChI=1S/C18H20N4O2/c1-2-21(11-7-14-5-8-19-9-6-14)13-15-4-3-10-22-17(15)16(12-20-22)18(23)24/h3-6,8-10,12H,2,7,11,13H2,1H3,(H,23,24)
InChIKeyDSVNYDCQEIZNOS-UHFFFAOYSA-N
XLogP2.49
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212449
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
4-[(4-methylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212424
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-5-fluorobenzoic acid
CID 63289162
[4-[[bis(2-methylpropyl)amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
CID 82212381
2-[3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]phenyl]ethanethioamide
CID 94722766
4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid
CID 167283900
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175276829
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323921
2,3-difluoro-4-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 107935617

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 82212440) is 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CCN(CCc1ccncc1)Cc1cccn2ncc(C(=O)O)c12.
What is the InChIKey of 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is DSVNYDCQEIZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-21(11-7-14-5-8-19-9-6-14)13-15-4-3-10-22-17(15)16(12-20-22)18(23)24/h3-6,8-10,12H,2,7,11,13H2,1H3,(H,23,24).
What are the key properties of 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82212440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).