3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide

C21H18ClF2N5O — CID 67451168

IUPAC3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
SMILESNC(=O)c1cc(Cl)cc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1
InChIInChI=1S/C21H18ClF2N5O/c22-14-7-12(6-13(8-14)20(25)30)17-3-4-18(29-28-17)27-11-21(9-15(23)10-21)19-16(24)2-1-5-26-19/h1-8,15H,9-11H2,(H2,25,30)(H,27,29)
InChIKeyDOQXJBKTDXUUCZ-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.91
Rot. Bonds6

About 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide

3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide (PubChem CID 67451168) has the molecular formula C21H18ClF2N5O and a molecular weight of 429.86 g/mol. Its IUPAC name is 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
PubChem CID67451168
Molecular FormulaC21H18ClF2N5O
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC Name3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
SMILESNC(=O)c1cc(Cl)cc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1
InChIInChI=1S/C21H18ClF2N5O/c22-14-7-12(6-13(8-14)20(25)30)17-3-4-18(29-28-17)27-11-21(9-15(23)10-21)19-16(24)2-1-5-26-19/h1-8,15H,9-11H2,(H2,25,30)(H,27,29)
InChIKeyDOQXJBKTDXUUCZ-UHFFFAOYSA-N
XLogP3.91
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide with MolForge

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Related Compounds

2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
bis(N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(3-isocyanophenyl)pyridazin-3-amine);methane
CID 158601643
3-[[[6-(3-carbamoylphenyl)pyridazin-3-yl]amino]methyl]-3-(3-fluoro-2-pyridinyl)azetidine-1-carboxylic acid
CID 121281847
3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
CID 54590831
N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-(2-hydroxy-2-methylpropyl)formamide
CID 89420539
3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755
N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide
CID 141481010
4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide
CID 136949525
6-(5-bromo-2-fluoro-4-methoxyphenyl)-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
CID 121285998
3-[3-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-triazin-6-yl]-4-hydroxybenzamide
CID 136510325
1-[4-[6-[[3-fluoro-1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-3-methylurea
CID 126549906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide (CID 67451168) is 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide is NC(=O)c1cc(Cl)cc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1.
What is the InChIKey of 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide?
The InChIKey is DOQXJBKTDXUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O/c22-14-7-12(6-13(8-14)20(25)30)17-3-4-18(29-28-17)27-11-21(9-15(23)10-21)19-16(24)2-1-5-26-19/h1-8,15H,9-11H2,(H2,25,30)(H,27,29).
What are the key properties of 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide?
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide has a molecular weight of 429.86 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 67451168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).