(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide

C19H18F2N4O3 — CID 92600804

IUPAC(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide
SMILESCc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccc(F)c(F)c3)n2)c(C)o1
InChIInChI=1S/C19H18F2N4O3/c1-9-6-13(11(3)28-9)17-8-16(22)19(27)25(24-17)10(2)18(26)23-12-4-5-14(20)15(21)7-12/h4-8,10H,22H2,1-3H3,(H,23,26)/t10-/m1/s1
InChIKeyUNWZFYPWTDALCA-SNVBAGLBSA-N
MW388.37 g/mol
LogP3.18
Rot. Bonds4

About (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide

(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide (PubChem CID 92600804) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide
PubChem CID92600804
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide
SMILESCc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccc(F)c(F)c3)n2)c(C)o1
InChIInChI=1S/C19H18F2N4O3/c1-9-6-13(11(3)28-9)17-8-16(22)19(27)25(24-17)10(2)18(26)23-12-4-5-14(20)15(21)7-12/h4-8,10H,22H2,1-3H3,(H,23,26)/t10-/m1/s1
InChIKeyUNWZFYPWTDALCA-SNVBAGLBSA-N
XLogP3.18
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide (CID 92600804) is (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide is Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccc(F)c(F)c3)n2)c(C)o1.
What is the InChIKey of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is UNWZFYPWTDALCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-9-6-13(11(3)28-9)17-8-16(22)19(27)25(24-17)10(2)18(26)23-12-4-5-14(20)15(21)7-12/h4-8,10H,22H2,1-3H3,(H,23,26)/t10-/m1/s1.
What are the key properties of (2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
(2R)-2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 388.37 g/mol, XLogP of 3.18, 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-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 92600804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).