N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

C97H94ClF3N20O15S4 — CID 157437593

About N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (PubChem CID 157437593) has the molecular formula C97H94ClF3N20O15S4 and a molecular weight of 2000.66 g/mol. Its IUPAC name is N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.

Molecular Properties

• Compound Name: N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
• PubChem CID: 157437593
• Molecular Formula: C97H94ClF3N20O15S4
• Molecular Weight: 2000.66 g/mol
• Exact Mass: 1998.57
• IUPAC Name: N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)cc(C)n1.CC(=O)Nc1cc(-c2cnc(C)c(N3CC=CS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(S(=O)(=O)NC34CC(C3)C4)c2)ccn1.COC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(Cl)cc3F)c2)ccn1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CC5(COC5)C4)c3)ccn2)n1
• InChI: InChI=1S/C22H22N6O2.C21H19F2N3O3S.C20H17ClFN3O4S.C18H20N4O3S.C16H16N4O3S/c1-14-18(21(29)28-10-22(11-28)12-30-13-22)7-17(9-25-14)16-3-5-24-20(8-16)27-19-4-6-23-15(2)26-19;1-12-6-15(8-21(25-12)26-14(3)27)16-7-17(13(2)24-10-16)11-30(28,29)20-5-4-18(22)9-19(20)23;1-12-15(11-30(27,28)18-4-3-16(21)9-17(18)22)7-14(10-24-12)13-5-6-23-19(8-13)25-20(26)29-2;1-11-16(26(24,25)22-18-7-13(8-18)9-18)5-15(10-20-11)14-3-4-19-17(6-14)21-12(2)23;1-11-15(20-6-3-7-24(20,22)23)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)21/h3-9H,10-13H2,1-2H3,(H,23,24,26,27);4-10H,11H2,1-3H3,(H,25,26,27);3-10H,11H2,1-2H3,(H,23,25,26);3-6,10,13,22H,7-9H2,1-2H3,(H,19,21,23);3-5,7-10H,6H2,1-2H3,(H,17,19,21)
• InChIKey: BRHFDOKXXINMRY-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 473.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2000.66
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

The IUPAC name of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (CID 157437593) is N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.

What is the SMILES notation for N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

The canonical SMILES for N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)cc(C)n1.CC(=O)Nc1cc(-c2cnc(C)c(N3CC=CS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(S(=O)(=O)NC34CC(C3)C4)c2)ccn1.COC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(Cl)cc3F)c2)ccn1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CC5(COC5)C4)c3)ccn2)n1.

What is the InChIKey of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

The InChIKey is BRHFDOKXXINMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2.C21H19F2N3O3S.C20H17ClFN3O4S.C18H20N4O3S.C16H16N4O3S/c1-14-18(21(29)28-10-22(11-28)12-30-13-22)7-17(9-25-14)16-3-5-24-20(8-16)27-19-4-6-23-15(2)26-19;1-12-6-15(8-21(25-12)26-14(3)27)16-7-17(13(2)24-10-16)11-30(28,29)20-5-4-18(22)9-19(20)23;1-12-15(11-30(27,28)18-4-3-16(21)9-17(18)22)7-14(10-24-12)13-5-6-23-19(8-13)25-20(26)29-2;1-11-16(26(24,25)22-18-7-13(8-18)9-18)5-15(10-20-11)14-3-4-19-17(6-14)21-12(2)23;1-11-15(20-6-3-7-24(20,22)23)8-14(10-18-11)13-4-5-17-16(9-13)19-12(2)21/h3-9H,10-13H2,1-2H3,(H,23,24,26,27);4-10H,11H2,1-3H3,(H,25,26,27);3-10H,11H2,1-2H3,(H,23,25,26);3-6,10,13,22H,7-9H2,1-2H3,(H,19,21,23);3-5,7-10H,6H2,1-2H3,(H,17,19,21).

What are the key properties of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?

N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone has a molecular weight of 2000.66 g/mol, XLogP of 15.45, 22 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-3H-1,2-thiazol-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is sourced from PubChem (CID 157437593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).