2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide

C26H26F2N8O4S — CID 71559190

IUPAC2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCOc1cc(OC)c(F)c(N(Cc2nccn2S(=O)(=O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C26H26F2N8O4S/c1-33(2)41(37,38)36-9-8-29-23(36)15-35(26-24(27)20(39-4)11-21(40-5)25(26)28)22-7-6-18-19(32-22)10-16(12-30-18)17-13-31-34(3)14-17/h6-14H,15H2,1-5H3
InChIKeyCUMCBEDCPQGOTJ-UHFFFAOYSA-N
MW584.61 g/mol
LogP3.52
Rot. Bonds9

About 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide

2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 71559190) has the molecular formula C26H26F2N8O4S and a molecular weight of 584.61 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide
PubChem CID71559190
Molecular FormulaC26H26F2N8O4S
Molecular Weight584.61 g/mol
Exact Mass584.18
IUPAC Name2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCOc1cc(OC)c(F)c(N(Cc2nccn2S(=O)(=O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C26H26F2N8O4S/c1-33(2)41(37,38)36-9-8-29-23(36)15-35(26-24(27)20(39-4)11-21(40-5)25(26)28)22-7-6-18-19(32-22)10-16(12-30-18)17-13-31-34(3)14-17/h6-14H,15H2,1-5H3
InChIKeyCUMCBEDCPQGOTJ-UHFFFAOYSA-N
XLogP3.52
TPSA120.50 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.61
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-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 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide (CID 71559190) is 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide is COc1cc(OC)c(F)c(N(Cc2nccn2S(=O)(=O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F.
What is the InChIKey of 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is CUMCBEDCPQGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N8O4S/c1-33(2)41(37,38)36-9-8-29-23(36)15-35(26-24(27)20(39-4)11-21(40-5)25(26)28)22-7-6-18-19(32-22)10-16(12-30-18)17-13-31-34(3)14-17/h6-14H,15H2,1-5H3.
What are the key properties of 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide?
2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 584.61 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 71559190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).