4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide

C21H19F2N5O2 — CID 136949525

IUPAC4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1O
InChIInChI=1S/C21H19F2N5O2/c22-12-9-21(10-12,16-3-1-2-8-25-16)11-26-17-7-6-15(27-28-17)18-14(23)5-4-13(19(18)29)20(24)30/h1-8,12,29H,9-11H2,(H2,24,30)(H,26,28)
InChIKeyCWOQFMXCEGBHQM-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.96
Rot. Bonds6

About 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide

4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide (PubChem CID 136949525) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide
PubChem CID136949525
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Name4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1O
InChIInChI=1S/C21H19F2N5O2/c22-12-9-21(10-12,16-3-1-2-8-25-16)11-26-17-7-6-15(27-28-17)18-14(23)5-4-13(19(18)29)20(24)30/h1-8,12,29H,9-11H2,(H2,24,30)(H,26,28)
InChIKeyCWOQFMXCEGBHQM-UHFFFAOYSA-N
XLogP2.96
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 121281912
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 118498156
3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile
CID 136949527
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
1-[4-[6-[[3-fluoro-1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-3-methylurea
CID 126549906
4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide
CID 89154417
bis(N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(3-isocyanophenyl)pyridazin-3-amine);methane
CID 158601643
(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine
CID 118498130
6-(5-bromo-2-fluoro-4-methoxyphenyl)-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
CID 121285998
N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide
CID 141481010

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide?
The IUPAC name of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide (CID 136949525) is 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide is NC(=O)c1ccc(F)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1O.
What is the InChIKey of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide?
The InChIKey is CWOQFMXCEGBHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c22-12-9-21(10-12,16-3-1-2-8-25-16)11-26-17-7-6-15(27-28-17)18-14(23)5-4-13(19(18)29)20(24)30/h1-8,12,29H,9-11H2,(H2,24,30)(H,26,28).
What are the key properties of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide?
4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide has a molecular weight of 411.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 136949525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).