7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C17H24N4O2 — CID 39122070

IUPAC7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1ccn2c(CN(C)C3CCN(C)CC3)c(C(=O)O)nc2c1
InChIInChI=1S/C17H24N4O2/c1-12-4-9-21-14(16(17(22)23)18-15(21)10-12)11-20(3)13-5-7-19(2)8-6-13/h4,9-10,13H,5-8,11H2,1-3H3,(H,22,23)
InChIKeyCCRRMMYDTNRDHV-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.87
Rot. Bonds4

About 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39122070) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39122070
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1ccn2c(CN(C)C3CCN(C)CC3)c(C(=O)O)nc2c1
InChIInChI=1S/C17H24N4O2/c1-12-4-9-21-14(16(17(22)23)18-15(21)10-12)11-20(3)13-5-7-19(2)8-6-13/h4,9-10,13H,5-8,11H2,1-3H3,(H,22,23)
InChIKeyCCRRMMYDTNRDHV-UHFFFAOYSA-N
XLogP1.87
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122077
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
7-methyl-3-phenylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063200
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028883
azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56881018
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121631
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
3-fluoro-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzoic acid
CID 63073186
azepan-1-yl-[7-methyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29215643
1-cyclopropyl-3-hydroxy-6-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
CID 82217874

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 39122070) is 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1ccn2c(CN(C)C3CCN(C)CC3)c(C(=O)O)nc2c1.
What is the InChIKey of 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is CCRRMMYDTNRDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-4-9-21-14(16(17(22)23)18-15(21)10-12)11-20(3)13-5-7-19(2)8-6-13/h4,9-10,13H,5-8,11H2,1-3H3,(H,22,23).
What are the key properties of 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 316.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39122070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).