1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine

C22H23Cl2N7O — CID 170708569

IUPAC1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine
SMILES[H]/N=C(\c1ccc(N2CC(C)(N)C2)nn1)c1cc(O[C@H](C)c2c(Cl)cncc2Cl)ccc1N
InChIInChI=1S/C22H23Cl2N7O/c1-12(20-15(23)8-28-9-16(20)24)32-13-3-4-17(25)14(7-13)21(26)18-5-6-19(30-29-18)31-10-22(2,27)11-31/h3-9,12,26H,10-11,25,27H2,1-2H3/b26-21-/t12-/m1/s1
InChIKeyNOHDWPTWXXMMKX-ZNGLMUNFSA-N
MW472.38 g/mol
LogP3.85
Rot. Bonds6

About 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine

1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine (PubChem CID 170708569) has the molecular formula C22H23Cl2N7O and a molecular weight of 472.38 g/mol. Its IUPAC name is 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine.

Molecular Properties

Compound Name1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine
PubChem CID170708569
Molecular FormulaC22H23Cl2N7O
Molecular Weight472.38 g/mol
Exact Mass471.13
IUPAC Name1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine
SMILES[H]/N=C(\c1ccc(N2CC(C)(N)C2)nn1)c1cc(O[C@H](C)c2c(Cl)cncc2Cl)ccc1N
InChIInChI=1S/C22H23Cl2N7O/c1-12(20-15(23)8-28-9-16(20)24)32-13-3-4-17(25)14(7-13)21(26)18-5-6-19(30-29-18)31-10-22(2,27)11-31/h3-9,12,26H,10-11,25,27H2,1-2H3/b26-21-/t12-/m1/s1
InChIKeyNOHDWPTWXXMMKX-ZNGLMUNFSA-N
XLogP3.85
TPSA127.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloropyridazine-3-carboximidoyl)-4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]aniline
CID 170708740
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-[6-[3-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyridazine-3-carboximidoyl]aniline
CID 170708727
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-[6-(4-methylpiperazin-1-yl)pyridine-3-carboximidoyl]aniline
CID 177139646
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-(6-thiomorpholin-4-ylpyridine-3-carboximidoyl)aniline
CID 164566041
3-amino-1-[6-[2-amino-5-[(2S)-2-(3,5-dichloro-4-pyridinyl)propyl]benzenecarboximidoyl]pyridazin-3-yl]azetidine-3-carbaldehyde;N-ethyl-N-methylethanamine
CID 170708826
2-[2-amino-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]phenyl]-2-iminoacetaldehyde
CID 126481518
[1-[5-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]methanol
CID 171827770
1-[5-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]-3-fluoro-2-pyridinyl]-3-[(dimethylamino)methyl]azetidin-3-amine
CID 171827786
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-[5-fluoro-6-[3-methyl-3-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)azetidin-1-yl]pyridine-3-carboximidoyl]aniline
CID 170708736
5-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]-2-(3-methyl-3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 170708567
1-[6-[2-amino-5-[(2S)-2-(3,5-dichloro-4-pyridinyl)propyl]benzenecarboximidoyl]pyridazin-3-yl]-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)azetidin-3-amine
CID 170708946
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-(spiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboximidoyl)aniline
CID 166462148

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine?
The IUPAC name of 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine (CID 170708569) is 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine.
What is the SMILES notation for 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine?
The canonical SMILES for 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine is [H]/N=C(\c1ccc(N2CC(C)(N)C2)nn1)c1cc(O[C@H](C)c2c(Cl)cncc2Cl)ccc1N.
What is the InChIKey of 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine?
The InChIKey is NOHDWPTWXXMMKX-ZNGLMUNFSA-N. The full InChI is InChI=1S/C22H23Cl2N7O/c1-12(20-15(23)8-28-9-16(20)24)32-13-3-4-17(25)14(7-13)21(26)18-5-6-19(30-29-18)31-10-22(2,27)11-31/h3-9,12,26H,10-11,25,27H2,1-2H3/b26-21-/t12-/m1/s1.
What are the key properties of 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine?
1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine has a molecular weight of 472.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]benzenecarboximidoyl]pyridazin-3-yl]-3-methylazetidin-3-amine is sourced from PubChem (CID 170708569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).