(4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide

C23H30N4OS — CID 140808998

IUPAC(4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide
SMILESCC[C@H](CC(C)(C)S(N)=O)c1cc(-n2c(C)ccc2C)nnc1-c1ccccc1
InChIInChI=1S/C23H30N4OS/c1-6-18(15-23(4,5)29(24)28)20-14-21(27-16(2)12-13-17(27)3)25-26-22(20)19-10-8-7-9-11-19/h7-14,18H,6,15,24H2,1-5H3/t18-,29?/m1/s1
InChIKeyJGLIGOHCDJGUAR-QHSQBYJISA-N
MW410.59 g/mol
LogP4.84
Rot. Bonds7

About (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide

(4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide (PubChem CID 140808998) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide
PubChem CID140808998
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name(4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide
SMILESCC[C@H](CC(C)(C)S(N)=O)c1cc(-n2c(C)ccc2C)nnc1-c1ccccc1
InChIInChI=1S/C23H30N4OS/c1-6-18(15-23(4,5)29(24)28)20-14-21(27-16(2)12-13-17(27)3)25-26-22(20)19-10-8-7-9-11-19/h7-14,18H,6,15,24H2,1-5H3/t18-,29?/m1/s1
InChIKeyJGLIGOHCDJGUAR-QHSQBYJISA-N
XLogP4.84
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide?
The IUPAC name of (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide (CID 140808998) is (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide.
What is the SMILES notation for (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide?
The canonical SMILES for (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide is CC[C@H](CC(C)(C)S(N)=O)c1cc(-n2c(C)ccc2C)nnc1-c1ccccc1.
What is the InChIKey of (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide?
The InChIKey is JGLIGOHCDJGUAR-QHSQBYJISA-N. The full InChI is InChI=1S/C23H30N4OS/c1-6-18(15-23(4,5)29(24)28)20-14-21(27-16(2)12-13-17(27)3)25-26-22(20)19-10-8-7-9-11-19/h7-14,18H,6,15,24H2,1-5H3/t18-,29?/m1/s1.
What are the key properties of (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide?
(4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide has a molecular weight of 410.59 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[6-(2,5-dimethylpyrrol-1-yl)-3-phenylpyridazin-4-yl]-2-methylhexane-2-sulfinamide is sourced from PubChem (CID 140808998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).