(7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid

C17H21N3O2 — CID 90655310

IUPAC(7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNCCC[C@@]1(C(=O)O)CCn2c(-c3ccccc3)cnc2C1
InChIInChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1
InChIKeyQUVXXNLGVUXFKY-QGZVFWFLSA-N
MW299.37 g/mol
LogP2.31
Rot. Bonds5

About (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid

(7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 90655310) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID90655310
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNCCC[C@@]1(C(=O)O)CCn2c(-c3ccccc3)cnc2C1
InChIInChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1
InChIKeyQUVXXNLGVUXFKY-QGZVFWFLSA-N
XLogP2.31
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid (CID 90655310) is (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid is NCCC[C@@]1(C(=O)O)CCn2c(-c3ccccc3)cnc2C1.
What is the InChIKey of (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is QUVXXNLGVUXFKY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1.
What are the key properties of (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid?
(7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3-aminopropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 90655310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).