3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride

C22H26Cl2N4O — CID 119953344

IUPAC3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1
InChIInChI=1S/C22H24N4O.2ClH/c23-19(16-6-2-1-3-7-16)14-22(27)24-18-11-9-17(10-12-18)20-15-26-13-5-4-8-21(26)25-20;;/h1-3,6-7,9-12,15,19H,4-5,8,13-14,23H2,(H,24,27);2*1H
InChIKeyAJTGGLOSTZIIND-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.76
Rot. Bonds5

About 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride

3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride (PubChem CID 119953344) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
PubChem CID119953344
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC Name3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1
InChIInChI=1S/C22H24N4O.2ClH/c23-19(16-6-2-1-3-7-16)14-22(27)24-18-11-9-17(10-12-18)20-15-26-13-5-4-8-21(26)25-20;;/h1-3,6-7,9-12,15,19H,4-5,8,13-14,23H2,(H,24,27);2*1H
InChIKeyAJTGGLOSTZIIND-UHFFFAOYSA-N
XLogP4.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886358
2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 71937815
1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075859
N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
CID 177207803
3-(4-methylpyrazol-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 86830001
4-(phenylsulfamoyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885317
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525291
2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525455
4-(aminomethyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939893
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886496
2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525812
(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 98869555

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride (CID 119953344) is 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride is Cl.Cl.NC(CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride?
The InChIKey is AJTGGLOSTZIIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.2ClH/c23-19(16-6-2-1-3-7-16)14-22(27)24-18-11-9-17(10-12-18)20-15-26-13-5-4-8-21(26)25-20;;/h1-3,6-7,9-12,15,19H,4-5,8,13-14,23H2,(H,24,27);2*1H.
What are the key properties of 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride?
3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride has a molecular weight of 433.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119953344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).