4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide

C20H18F3N5O2 — CID 137067612

IUPAC4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccc(NCC[C@H](F)Cc3ncccc3F)nn2)c1O
InChIInChI=1S/C20H18F3N5O2/c21-11(10-16-13(22)2-1-8-25-16)7-9-26-17-6-5-15(27-28-17)18-14(23)4-3-12(19(18)29)20(24)30/h1-6,8,11,29H,7,9-10H2,(H2,24,30)(H,26,28)/t11-/m0/s1
InChIKeyDMDYLRHUYHWICN-NSHDSACASA-N
MW417.39 g/mol
LogP3.00
Rot. Bonds8

About 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide

4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide (PubChem CID 137067612) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide
PubChem CID137067612
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide
SMILESNC(=O)c1ccc(F)c(-c2ccc(NCC[C@H](F)Cc3ncccc3F)nn2)c1O
InChIInChI=1S/C20H18F3N5O2/c21-11(10-16-13(22)2-1-8-25-16)7-9-26-17-6-5-15(27-28-17)18-14(23)4-3-12(19(18)29)20(24)30/h1-6,8,11,29H,7,9-10H2,(H2,24,30)(H,26,28)/t11-/m0/s1
InChIKeyDMDYLRHUYHWICN-NSHDSACASA-N
XLogP3.00
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide?
The IUPAC name of 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide (CID 137067612) is 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide is NC(=O)c1ccc(F)c(-c2ccc(NCC[C@H](F)Cc3ncccc3F)nn2)c1O.
What is the InChIKey of 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide?
The InChIKey is DMDYLRHUYHWICN-NSHDSACASA-N. The full InChI is InChI=1S/C20H18F3N5O2/c21-11(10-16-13(22)2-1-8-25-16)7-9-26-17-6-5-15(27-28-17)18-14(23)4-3-12(19(18)29)20(24)30/h1-6,8,11,29H,7,9-10H2,(H2,24,30)(H,26,28)/t11-/m0/s1.
What are the key properties of 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide?
4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide has a molecular weight of 417.39 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 137067612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).