4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C105H115F6N25O17S4 — CID 157186236

IUPAC4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(C)n1nc(C2CC2)cc1Oc1ccnc(Nc2ccc(S(N)(=O)=O)cc2)c1.CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)cn1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)cc1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C4CC4)nn3C3CC3)ccn2)cc1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ccn2)cc1
InChIInChI=1S/C22H24F3N5O3.C22H25N5O4S.C21H25N5O3S.C20H20F3N5O4S.C20H21N5O3S/c1-21(2,31)17-4-3-14(13-27-17)28-19-11-16(5-8-26-19)33-20-12-18(22(23,24)25)29-30(20)15-6-9-32-10-7-15;23-32(28,29)19-5-3-16(4-6-19)25-21-13-18(7-10-24-21)31-22-14-20(15-1-2-15)26-27(22)17-8-11-30-12-9-17;1-21(2,3)26-20(13-18(25-26)14-4-5-14)29-16-10-11-23-19(12-16)24-15-6-8-17(9-7-15)30(22,27)28;21-20(22,23)17-12-19(28(27-17)14-6-9-31-10-7-14)32-15-5-8-25-18(11-15)26-13-1-3-16(4-2-13)33(24,29)30;21-29(26,27)17-7-3-14(4-8-17)23-19-11-16(9-10-22-19)28-20-12-18(13-1-2-13)24-25(20)15-5-6-15/h3-5,8,11-13,15,31H,6-7,9-10H2,1-2H3,(H,26,28);3-7,10,13-15,17H,1-2,8-9,11-12H2,(H,24,25)(H2,23,28,29);6-14H,4-5H2,1-3H3,(H,23,24)(H2,22,27,28);1-5,8,11-12,14H,6-7,9-10H2,(H,25,26)(H2,24,29,30);3-4,7-13,15H,1-2,5-6H2,(H,22,23)(H2,21,26,27)
InChIKeyAPDOXIXQUDEZJX-UHFFFAOYSA-N
MW2241.49 g/mol
LogP20.10
Rot. Bonds32

About 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 157186236) has the molecular formula C105H115F6N25O17S4 and a molecular weight of 2241.49 g/mol. Its IUPAC name is 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID157186236
Molecular FormulaC105H115F6N25O17S4
Molecular Weight2241.49 g/mol
Exact Mass2239.77
IUPAC Name4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(C)n1nc(C2CC2)cc1Oc1ccnc(Nc2ccc(S(N)(=O)=O)cc2)c1.CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)cn1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)cc1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C4CC4)nn3C3CC3)ccn2)cc1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ccn2)cc1
InChIInChI=1S/C22H24F3N5O3.C22H25N5O4S.C21H25N5O3S.C20H20F3N5O4S.C20H21N5O3S/c1-21(2,31)17-4-3-14(13-27-17)28-19-11-16(5-8-26-19)33-20-12-18(22(23,24)25)29-30(20)15-6-9-32-10-7-15;23-32(28,29)19-5-3-16(4-6-19)25-21-13-18(7-10-24-21)31-22-14-20(15-1-2-15)26-27(22)17-8-11-30-12-9-17;1-21(2,3)26-20(13-18(25-26)14-4-5-14)29-16-10-11-23-19(12-16)24-15-6-8-17(9-7-15)30(22,27)28;21-20(22,23)17-12-19(28(27-17)14-6-9-31-10-7-14)32-15-5-8-25-18(11-15)26-13-1-3-16(4-2-13)33(24,29)30;21-29(26,27)17-7-3-14(4-8-17)23-19-11-16(9-10-22-19)28-20-12-18(13-1-2-13)24-25(20)15-5-6-15/h3-5,8,11-13,15,31H,6-7,9-10H2,1-2H3,(H,26,28);3-7,10,13-15,17H,1-2,8-9,11-12H2,(H,24,25)(H2,23,28,29);6-14H,4-5H2,1-3H3,(H,23,24)(H2,22,27,28);1-5,8,11-12,14H,6-7,9-10H2,(H,25,26)(H2,24,29,30);3-4,7-13,15H,1-2,5-6H2,(H,22,23)(H2,21,26,27)
InChIKeyAPDOXIXQUDEZJX-UHFFFAOYSA-N
XLogP20.10
TPSA561.30 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002241.49
LogP ≤ 520.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 157186236) is 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(C)n1nc(C2CC2)cc1Oc1ccnc(Nc2ccc(S(N)(=O)=O)cc2)c1.CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)cn1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCOCC3)ccn2)cc1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C4CC4)nn3C3CC3)ccn2)cc1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ccn2)cc1.
What is the InChIKey of 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is APDOXIXQUDEZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3.C22H25N5O4S.C21H25N5O3S.C20H20F3N5O4S.C20H21N5O3S/c1-21(2,31)17-4-3-14(13-27-17)28-19-11-16(5-8-26-19)33-20-12-18(22(23,24)25)29-30(20)15-6-9-32-10-7-15;23-32(28,29)19-5-3-16(4-6-19)25-21-13-18(7-10-24-21)31-22-14-20(15-1-2-15)26-27(22)17-8-11-30-12-9-17;1-21(2,3)26-20(13-18(25-26)14-4-5-14)29-16-10-11-23-19(12-16)24-15-6-8-17(9-7-15)30(22,27)28;21-20(22,23)17-12-19(28(27-17)14-6-9-31-10-7-14)32-15-5-8-25-18(11-15)26-13-1-3-16(4-2-13)33(24,29)30;21-29(26,27)17-7-3-14(4-8-17)23-19-11-16(9-10-22-19)28-20-12-18(13-1-2-13)24-25(20)15-5-6-15/h3-5,8,11-13,15,31H,6-7,9-10H2,1-2H3,(H,26,28);3-7,10,13-15,17H,1-2,8-9,11-12H2,(H,24,25)(H2,23,28,29);6-14H,4-5H2,1-3H3,(H,23,24)(H2,22,27,28);1-5,8,11-12,14H,6-7,9-10H2,(H,25,26)(H2,24,29,30);3-4,7-13,15H,1-2,5-6H2,(H,22,23)(H2,21,26,27).
What are the key properties of 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 2241.49 g/mol, XLogP of 20.10, 32 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[5-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 157186236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).