N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

C55H45ClF6N12O4S4 — CID 86660679

IUPACN-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
SMILESCC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1.CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCC(C#N)CC4)nc3)n2)s1
InChIInChI=1S/C33H29F3N8O2S2.C22H16ClF3N4O2S2/c1-19(2)32-42-29(21-6-8-23(34)27(16-21)43-48(45,46)31-24(35)4-3-5-25(31)36)30(47-32)26-10-13-38-33(41-26)40-22-7-9-28(39-18-22)44-14-11-20(17-37)12-15-44;1-11(2)21-29-18(19(33-21)16-8-9-27-22(23)28-16)12-6-7-13(24)17(10-12)30-34(31,32)20-14(25)4-3-5-15(20)26/h3-10,13,16,18-20,43H,11-12,14-15H2,1-2H3,(H,38,40,41);3-11,30H,1-2H3
InChIKeyGYUPZLUYHWPWSP-UHFFFAOYSA-N
MW1215.75 g/mol
LogP13.75
Rot. Bonds15

About N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 86660679) has the molecular formula C55H45ClF6N12O4S4 and a molecular weight of 1215.75 g/mol. Its IUPAC name is N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
PubChem CID86660679
Molecular FormulaC55H45ClF6N12O4S4
Molecular Weight1215.75 g/mol
Exact Mass1214.22
IUPAC NameN-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
SMILESCC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1.CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCC(C#N)CC4)nc3)n2)s1
InChIInChI=1S/C33H29F3N8O2S2.C22H16ClF3N4O2S2/c1-19(2)32-42-29(21-6-8-23(34)27(16-21)43-48(45,46)31-24(35)4-3-5-25(31)36)30(47-32)26-10-13-38-33(41-26)40-22-7-9-28(39-18-22)44-14-11-20(17-37)12-15-44;1-11(2)21-29-18(19(33-21)16-8-9-27-22(23)28-16)12-6-7-13(24)17(10-12)30-34(31,32)20-14(25)4-3-5-15(20)26/h3-10,13,16,18-20,43H,11-12,14-15H2,1-2H3,(H,38,40,41);3-11,30H,1-2H3
InChIKeyGYUPZLUYHWPWSP-UHFFFAOYSA-N
XLogP13.75
TPSA221.63 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.75
LogP ≤ 513.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide 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 N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (CID 86660679) is N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1.CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCC(C#N)CC4)nc3)n2)s1.
What is the InChIKey of N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is GYUPZLUYHWPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F3N8O2S2.C22H16ClF3N4O2S2/c1-19(2)32-42-29(21-6-8-23(34)27(16-21)43-48(45,46)31-24(35)4-3-5-25(31)36)30(47-32)26-10-13-38-33(41-26)40-22-7-9-28(39-18-22)44-14-11-20(17-37)12-15-44;1-11(2)21-29-18(19(33-21)16-8-9-27-22(23)28-16)12-6-7-13(24)17(10-12)30-34(31,32)20-14(25)4-3-5-15(20)26/h3-10,13,16,18-20,43H,11-12,14-15H2,1-2H3,(H,38,40,41);3-11,30H,1-2H3.
What are the key properties of N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 1215.75 g/mol, XLogP of 13.75, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[5-[5-[2-[[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 86660679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).