[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride

C20H27Cl2N5O2 — CID 154907559

IUPAC[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride
SMILESCl.Cl.NCCC1CN(C(=O)c2ccc(-c3ccc(NC4CC4)nn3)cc2)CCO1
InChIInChI=1S/C20H25N5O2.2ClH/c21-10-9-17-13-25(11-12-27-17)20(26)15-3-1-14(2-4-15)18-7-8-19(24-23-18)22-16-5-6-16;;/h1-4,7-8,16-17H,5-6,9-13,21H2,(H,22,24);2*1H
InChIKeyINMGQEHXFLMFID-UHFFFAOYSA-N
MW440.38 g/mol
LogP2.75
Rot. Bonds6

About [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride

[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride (PubChem CID 154907559) has the molecular formula C20H27Cl2N5O2 and a molecular weight of 440.38 g/mol. Its IUPAC name is [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride
PubChem CID154907559
Molecular FormulaC20H27Cl2N5O2
Molecular Weight440.38 g/mol
Exact Mass439.15
IUPAC Name[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride
SMILESCl.Cl.NCCC1CN(C(=O)c2ccc(-c3ccc(NC4CC4)nn3)cc2)CCO1
InChIInChI=1S/C20H25N5O2.2ClH/c21-10-9-17-13-25(11-12-27-17)20(26)15-3-1-14(2-4-15)18-7-8-19(24-23-18)22-16-5-6-16;;/h1-4,7-8,16-17H,5-6,9-13,21H2,(H,22,24);2*1H
InChIKeyINMGQEHXFLMFID-UHFFFAOYSA-N
XLogP2.75
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride with MolForge

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Related Compounds

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
[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
CID 154899649
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
CID 126434480
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride?
The IUPAC name of [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride (CID 154907559) is [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride.
What is the SMILES notation for [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride?
The canonical SMILES for [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride is Cl.Cl.NCCC1CN(C(=O)c2ccc(-c3ccc(NC4CC4)nn3)cc2)CCO1.
What is the InChIKey of [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride?
The InChIKey is INMGQEHXFLMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.2ClH/c21-10-9-17-13-25(11-12-27-17)20(26)15-3-1-14(2-4-15)18-7-8-19(24-23-18)22-16-5-6-16;;/h1-4,7-8,16-17H,5-6,9-13,21H2,(H,22,24);2*1H.
What are the key properties of [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride?
[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride has a molecular weight of 440.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride is sourced from PubChem (CID 154907559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).