(7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride

C23H24Cl3N3O2 — CID 90655311

IUPAC(7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.NCCC[C@@]1(C(=O)O)CCn2c(-c3cccc(-c4ccc(Cl)cc4Cl)c3)cnc2C1
InChIInChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1
InChIKeyIOOZRTSDGXVNMZ-GNAFDRTKSA-N
MW480.82 g/mol
LogP5.70
Rot. Bonds6

About (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride

(7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride (PubChem CID 90655311) has the molecular formula C23H24Cl3N3O2 and a molecular weight of 480.82 g/mol. Its IUPAC name is (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
PubChem CID90655311
Molecular FormulaC23H24Cl3N3O2
Molecular Weight480.82 g/mol
Exact Mass479.09
IUPAC Name(7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.NCCC[C@@]1(C(=O)O)CCn2c(-c3cccc(-c4ccc(Cl)cc4Cl)c3)cnc2C1
InChIInChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1
InChIKeyIOOZRTSDGXVNMZ-GNAFDRTKSA-N
XLogP5.70
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 55.70
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-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
The IUPAC name of (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride (CID 90655311) is (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
The canonical SMILES for (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride is Cl.NCCC[C@@]1(C(=O)O)CCn2c(-c3cccc(-c4ccc(Cl)cc4Cl)c3)cnc2C1.
What is the InChIKey of (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
The InChIKey is IOOZRTSDGXVNMZ-GNAFDRTKSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1.
What are the key properties of (7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride?
(7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride has a molecular weight of 480.82 g/mol, XLogP of 5.70, 6 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-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 90655311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).