2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid

C17H23N3O2 — CID 82028883

IUPAC2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccn2c(CN3CCC(C)CC3)c(CC(=O)O)nc2c1
InChIInChI=1S/C17H23N3O2/c1-12-3-6-19(7-4-12)11-15-14(10-17(21)22)18-16-9-13(2)5-8-20(15)16/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyKZITVJIXWKFMHL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.50
Rot. Bonds4

About 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 82028883) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID82028883
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCc1ccn2c(CN3CCC(C)CC3)c(CC(=O)O)nc2c1
InChIInChI=1S/C17H23N3O2/c1-12-3-6-19(7-4-12)11-15-14(10-17(21)22)18-16-9-13(2)5-8-20(15)16/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyKZITVJIXWKFMHL-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 82028883) is 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is Cc1ccn2c(CN3CCC(C)CC3)c(CC(=O)O)nc2c1.
What is the InChIKey of 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is KZITVJIXWKFMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-3-6-19(7-4-12)11-15-14(10-17(21)22)18-16-9-13(2)5-8-20(15)16/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 82028883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).