2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C17H23N3O2 — CID 117132364

IUPAC2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(C)N1CCCC(Cc2cn3c(C(=O)O)cccc3n2)C1
InChIInChI=1S/C17H23N3O2/c1-12(2)19-8-4-5-13(10-19)9-14-11-20-15(17(21)22)6-3-7-16(20)18-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3,(H,21,22)
InChIKeyWNJHQKUBWQNHTM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.70
Rot. Bonds4

About 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117132364) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117132364
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(C)N1CCCC(Cc2cn3c(C(=O)O)cccc3n2)C1
InChIInChI=1S/C17H23N3O2/c1-12(2)19-8-4-5-13(10-19)9-14-11-20-15(17(21)22)6-3-7-16(20)18-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3,(H,21,22)
InChIKeyWNJHQKUBWQNHTM-UHFFFAOYSA-N
XLogP2.70
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132108
2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131577
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117131424
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255785
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95044733
5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132317
[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132270
2-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255796
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 117157145
2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117132331
5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132335

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 117132364) is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is CC(C)N1CCCC(Cc2cn3c(C(=O)O)cccc3n2)C1.
What is the InChIKey of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is WNJHQKUBWQNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)19-8-4-5-13(10-19)9-14-11-20-15(17(21)22)6-3-7-16(20)18-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117132364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).