[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride

C20H23Cl2FN4O2 — CID 154899649

IUPAC[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
SMILESCl.Cl.NCCC1CN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CCO1
InChIInChI=1S/C20H21FN4O2.2ClH/c21-16-4-1-14(2-5-16)18-13-25-11-15(3-6-19(25)23-18)20(26)24-9-10-27-17(12-24)7-8-22;;/h1-6,11,13,17H,7-10,12,22H2;2*1H
InChIKeyWJBGVPMPDCBZND-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.17
Rot. Bonds4

About [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride

[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride (PubChem CID 154899649) has the molecular formula C20H23Cl2FN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
PubChem CID154899649
Molecular FormulaC20H23Cl2FN4O2
Molecular Weight441.33 g/mol
Exact Mass440.12
IUPAC Name[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
SMILESCl.Cl.NCCC1CN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CCO1
InChIInChI=1S/C20H21FN4O2.2ClH/c21-16-4-1-14(2-5-16)18-13-25-11-15(3-6-19(25)23-18)20(26)24-9-10-27-17(12-24)7-8-22;;/h1-6,11,13,17H,7-10,12,22H2;2*1H
InChIKeyWJBGVPMPDCBZND-UHFFFAOYSA-N
XLogP3.17
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
N-[1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]pyrrolidin-3-yl]acetamide
CID 72940598
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-(3-propoxypiperidin-1-yl)methanone
CID 72859474
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride
CID 154907559
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 72841086
2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126432738
4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 122565784
4-[6-[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951465
4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951464
[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
CID 126434480
[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
CID 22364124

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride?
The IUPAC name of [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride (CID 154899649) is [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride is Cl.Cl.NCCC1CN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CCO1.
What is the InChIKey of [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride?
The InChIKey is WJBGVPMPDCBZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2.2ClH/c21-16-4-1-14(2-5-16)18-13-25-11-15(3-6-19(25)23-18)20(26)24-9-10-27-17(12-24)7-8-22;;/h1-6,11,13,17H,7-10,12,22H2;2*1H.
What are the key properties of [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride?
[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride has a molecular weight of 441.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride is sourced from PubChem (CID 154899649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).