(2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one

C20H22ClN5O — CID 52948731

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cnc3ccccn23)CC1
InChIInChI=1S/C20H22ClN5O/c21-16-6-4-15(5-7-16)13-17(22)20(27)25-11-9-24(10-12-25)19-14-23-18-3-1-2-8-26(18)19/h1-8,14,17H,9-13,22H2/t17-/m1/s1
InChIKeyJFSGJWXYSBMVEO-QGZVFWFLSA-N
MW383.88 g/mol
LogP2.21
Rot. Bonds4

About (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one

(2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one (PubChem CID 52948731) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one
PubChem CID52948731
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cnc3ccccn23)CC1
InChIInChI=1S/C20H22ClN5O/c21-16-6-4-15(5-7-16)13-17(22)20(27)25-11-9-24(10-12-25)19-14-23-18-3-1-2-8-26(18)19/h1-8,14,17H,9-13,22H2/t17-/m1/s1
InChIKeyJFSGJWXYSBMVEO-QGZVFWFLSA-N
XLogP2.21
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one (CID 52948731) is (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one is N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cnc3ccccn23)CC1.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one?
The InChIKey is JFSGJWXYSBMVEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-16-6-4-15(5-7-16)13-17(22)20(27)25-11-9-24(10-12-25)19-14-23-18-3-1-2-8-26(18)19/h1-8,14,17H,9-13,22H2/t17-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one?
(2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one has a molecular weight of 383.88 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-1-(4-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 52948731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).