1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide

C20H18F2N6O5S — CID 177249914

IUPAC1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3cccc(-c4nnccc4C)c32)nc(OC)c1OC(F)F
InChIInChI=1S/C20H18F2N6O5S/c1-10-7-8-24-27-14(10)12-6-4-5-11-13(34(23,29)30)9-28(15(11)12)20-25-17(31-2)16(33-19(21)22)18(26-20)32-3/h4-9,19H,1-3H3,(H2,23,29,30)
InChIKeyHPBDUCWWELHUDH-UHFFFAOYSA-N
MW492.46 g/mol
LogP2.45
Rot. Bonds7

About 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide

1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide (PubChem CID 177249914) has the molecular formula C20H18F2N6O5S and a molecular weight of 492.46 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide
PubChem CID177249914
Molecular FormulaC20H18F2N6O5S
Molecular Weight492.46 g/mol
Exact Mass492.10
IUPAC Name1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3cccc(-c4nnccc4C)c32)nc(OC)c1OC(F)F
InChIInChI=1S/C20H18F2N6O5S/c1-10-7-8-24-27-14(10)12-6-4-5-11-13(34(23,29)30)9-28(15(11)12)20-25-17(31-2)16(33-19(21)22)18(26-20)32-3/h4-9,19H,1-3H3,(H2,23,29,30)
InChIKeyHPBDUCWWELHUDH-UHFFFAOYSA-N
XLogP2.45
TPSA144.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide 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 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide?
The IUPAC name of 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide (CID 177249914) is 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide.
What is the SMILES notation for 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide?
The canonical SMILES for 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3cccc(-c4nnccc4C)c32)nc(OC)c1OC(F)F.
What is the InChIKey of 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide?
The InChIKey is HPBDUCWWELHUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O5S/c1-10-7-8-24-27-14(10)12-6-4-5-11-13(34(23,29)30)9-28(15(11)12)20-25-17(31-2)16(33-19(21)22)18(26-20)32-3/h4-9,19H,1-3H3,(H2,23,29,30).
What are the key properties of 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide?
1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide has a molecular weight of 492.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide is sourced from PubChem (CID 177249914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).