(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide

C17H14F2N4O2S — CID 51496253

IUPAC(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C17H14F2N4O2S/c1-9(16(24)21-13-7-10(18)4-5-11(13)19)23-17(25)12(20)8-14(22-23)15-3-2-6-26-15/h2-9H,20H2,1H3,(H,21,24)/t9-/m1/s1
InChIKeyIDRZPHPHISYUQD-SECBINFHSA-N
MW376.39 g/mol
LogP3.03
Rot. Bonds4

About (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide

(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide (PubChem CID 51496253) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide
PubChem CID51496253
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C17H14F2N4O2S/c1-9(16(24)21-13-7-10(18)4-5-11(13)19)23-17(25)12(20)8-14(22-23)15-3-2-6-26-15/h2-9H,20H2,1H3,(H,21,24)/t9-/m1/s1
InChIKeyIDRZPHPHISYUQD-SECBINFHSA-N
XLogP3.03
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 51496256
(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 51595694
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 51595695
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 51583835
(2S)-N-(2,5-difluorophenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 95800919
N-(2,5-difluorophenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51280587
(2R)-N-(5-fluoro-2-methylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 95049773
4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 51496275
1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
CID 108889251
N-(4-fluoro-2-methylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 75418669
N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076555
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide (CID 51496253) is (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide is C[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide?
The InChIKey is IDRZPHPHISYUQD-SECBINFHSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-9(16(24)21-13-7-10(18)4-5-11(13)19)23-17(25)12(20)8-14(22-23)15-3-2-6-26-15/h2-9H,20H2,1H3,(H,21,24)/t9-/m1/s1.
What are the key properties of (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide?
(2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide has a molecular weight of 376.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 51496253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).