2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one

C21H23ClN4O2 — CID 126786204

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)NCc1cn2cc(Cl)ccc2n1)N1CCOCC1
InChIInChI=1S/C21H23ClN4O2/c22-17-6-7-20-24-18(15-26(20)14-17)13-23-19(12-16-4-2-1-3-5-16)21(27)25-8-10-28-11-9-25/h1-7,14-15,19,23H,8-13H2
InChIKeyUFZGBAPBOOUBPS-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.55
Rot. Bonds6

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 126786204) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID126786204
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)NCc1cn2cc(Cl)ccc2n1)N1CCOCC1
InChIInChI=1S/C21H23ClN4O2/c22-17-6-7-20-24-18(15-26(20)14-17)13-23-19(12-16-4-2-1-3-5-16)21(27)25-8-10-28-11-9-25/h1-7,14-15,19,23H,8-13H2
InChIKeyUFZGBAPBOOUBPS-UHFFFAOYSA-N
XLogP2.55
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one (CID 126786204) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one is O=C(C(Cc1ccccc1)NCc1cn2cc(Cl)ccc2n1)N1CCOCC1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is UFZGBAPBOOUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-17-6-7-20-24-18(15-26(20)14-17)13-23-19(12-16-4-2-1-3-5-16)21(27)25-8-10-28-11-9-25/h1-7,14-15,19,23H,8-13H2.
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 398.89 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 126786204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).