3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide

C25H26FN7O5S2 — CID 164925710

IUPAC3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide
SMILESCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(Cc4cncc(-c5ccc(S(N)(=O)=O)cc5F)c4)c3n2)CC1
InChIInChI=1S/C25H26FN7O5S2/c1-39(35,36)32-8-6-19(7-9-32)30-25-29-14-17-2-5-23(34)33(24(17)31-25)15-16-10-18(13-28-12-16)21-4-3-20(11-22(21)26)40(27,37)38/h2-5,10-14,19H,6-9,15H2,1H3,(H2,27,37,38)(H,29,30,31)
InChIKeyCIFDZGCTSIANQR-UHFFFAOYSA-N
MW587.66 g/mol
LogP1.52
Rot. Bonds7

About 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide

3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 164925710) has the molecular formula C25H26FN7O5S2 and a molecular weight of 587.66 g/mol. Its IUPAC name is 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide
PubChem CID164925710
Molecular FormulaC25H26FN7O5S2
Molecular Weight587.66 g/mol
Exact Mass587.14
IUPAC Name3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide
SMILESCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(Cc4cncc(-c5ccc(S(N)(=O)=O)cc5F)c4)c3n2)CC1
InChIInChI=1S/C25H26FN7O5S2/c1-39(35,36)32-8-6-19(7-9-32)30-25-29-14-17-2-5-23(34)33(24(17)31-25)15-16-10-18(13-28-12-16)21-4-3-20(11-22(21)26)40(27,37)38/h2-5,10-14,19H,6-9,15H2,1H3,(H2,27,37,38)(H,29,30,31)
InChIKeyCIFDZGCTSIANQR-UHFFFAOYSA-N
XLogP1.52
TPSA170.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.66
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-(4-sulfamoylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86306012
1-(4-fluorobenzyl)-6-(4-(methylsulfonyl)phenyl)-2-oxo-N-(spiro[3.3]heptan-2-yl)-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 167335723
US20230357239, Example 17
CID 168874830
4-(4-(6-(Pyridin-2-ylamino)pyrimidin-4-yl)piperazine-1-carbonyl)benzenesulfonamide
CID 71800146
1-[(4-Fluorophenyl)methyl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 18582900
US20250236609, Example 96
CID 176395576
1-methyl-2-oxo-N-(4-sulfamoylphenethyl)-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7619623
1-benzyl-2-oxo-N-(4-sulfamoylphenethyl)-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 26844179
8-Cyclopentyl-5-(4-(methylsulfonyl)phenyl)-2-(4-(phenethylamino)piperidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 156767153
2-(3-fluorophenyl)-N-[[3-[3-(2-methylpiperidin-1-yl)propylsulfamoyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 16665706
6-(2-Fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551720
6-(2-Fluorophenyl)-8-methyl-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551721

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide (CID 164925710) is 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide is CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(Cc4cncc(-c5ccc(S(N)(=O)=O)cc5F)c4)c3n2)CC1.
What is the InChIKey of 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is CIFDZGCTSIANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O5S2/c1-39(35,36)32-8-6-19(7-9-32)30-25-29-14-17-2-5-23(34)33(24(17)31-25)15-16-10-18(13-28-12-16)21-4-3-20(11-22(21)26)40(27,37)38/h2-5,10-14,19H,6-9,15H2,1H3,(H2,27,37,38)(H,29,30,31).
What are the key properties of 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide?
3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 587.66 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-[[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164925710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).