(1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol

C133H110F19N29O12 — CID 159363373

IUPAC(1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
SMILESC.Cc1cc([C@H](O)CO)cnc1-c1cc2ccnc(Nc3ccc(C(F)(F)F)cn3)c2cn1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)nccc2c1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)nccc2n1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)ncnc2c1.Cc1cc([C@H](O)CO)cnc1-c1cnc2c(Nc3ccc(C(F)(F)F)cn3)nccc2c1.OC[C@@H](O)c1cnc(-c2cc3ccnc(Nc4ccc(C(F)(F)F)cn4)c3cn2)c(F)c1
InChIInChI=1S/C23H19F3N4O2.4C22H18F3N5O2.C21H15F4N5O2.CH4/c1-13-8-16(19(32)12-31)10-29-21(13)15-2-4-18-14(9-15)6-7-27-22(18)30-20-5-3-17(11-28-20)23(24,25)26;1-12-8-13(18(32)11-31)9-28-20(12)17-4-3-15-16(29-17)6-7-26-21(15)30-19-5-2-14(10-27-19)22(23,24)25;1-12-6-14(18(32)10-31)8-27-20(12)13-2-4-16-17(7-13)28-11-29-21(16)30-19-5-3-15(9-26-19)22(23,24)25;1-12-6-14(17(32)11-31)8-28-19(12)15-7-13-4-5-26-21(20(13)29-9-15)30-18-3-2-16(10-27-18)22(23,24)25;1-12-6-14(18(32)11-31)8-29-20(12)17-7-13-4-5-26-21(16(13)10-27-17)30-19-3-2-15(9-28-19)22(23,24)25;22-15-5-12(17(32)10-31)7-29-19(15)16-6-11-3-4-26-20(14(11)9-27-16)30-18-2-1-13(8-28-18)21(23,24)25;/h2-11,19,31-32H,12H2,1H3,(H,27,28,30);2-10,18,31-32H,11H2,1H3,(H,26,27,30);2-9,11,18,31-32H,10H2,1H3,(H,26,28,29,30);2-10,17,31-32H,11H2,1H3,(H,26,27,30);2-10,18,31-32H,11H2,1H3,(H,26,28,30);1-9,17,31-32H,10H2,(H,26,28,30);1H4/t19-;2*18-;17-;18-;17-;/m111111./s1
InChIKeyLIUUNWURWSDCHN-UGRYWMMCSA-N
MW2667.50 g/mol
LogP26.17
Rot. Bonds30

About (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol

(1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol (PubChem CID 159363373) has the molecular formula C133H110F19N29O12 and a molecular weight of 2667.50 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
PubChem CID159363373
Molecular FormulaC133H110F19N29O12
Molecular Weight2667.50 g/mol
Exact Mass2665.86
IUPAC Name(1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
SMILESC.Cc1cc([C@H](O)CO)cnc1-c1cc2ccnc(Nc3ccc(C(F)(F)F)cn3)c2cn1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)nccc2c1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)nccc2n1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)ncnc2c1.Cc1cc([C@H](O)CO)cnc1-c1cnc2c(Nc3ccc(C(F)(F)F)cn3)nccc2c1.OC[C@@H](O)c1cnc(-c2cc3ccnc(Nc4ccc(C(F)(F)F)cn4)c3cn2)c(F)c1
InChIInChI=1S/C23H19F3N4O2.4C22H18F3N5O2.C21H15F4N5O2.CH4/c1-13-8-16(19(32)12-31)10-29-21(13)15-2-4-18-14(9-15)6-7-27-22(18)30-20-5-3-17(11-28-20)23(24,25)26;1-12-8-13(18(32)11-31)9-28-20(12)17-4-3-15-16(29-17)6-7-26-21(15)30-19-5-2-14(10-27-19)22(23,24)25;1-12-6-14(18(32)10-31)8-27-20(12)13-2-4-16-17(7-13)28-11-29-21(16)30-19-5-3-15(9-26-19)22(23,24)25;1-12-6-14(17(32)11-31)8-28-19(12)15-7-13-4-5-26-21(20(13)29-9-15)30-18-3-2-16(10-27-18)22(23,24)25;1-12-6-14(18(32)11-31)8-29-20(12)17-7-13-4-5-26-21(16(13)10-27-17)30-19-3-2-15(9-28-19)22(23,24)25;22-15-5-12(17(32)10-31)7-29-19(15)16-6-11-3-4-26-20(14(11)9-27-16)30-18-2-1-13(8-28-18)21(23,24)25;/h2-11,19,31-32H,12H2,1H3,(H,27,28,30);2-10,18,31-32H,11H2,1H3,(H,26,27,30);2-9,11,18,31-32H,10H2,1H3,(H,26,28,29,30);2-10,17,31-32H,11H2,1H3,(H,26,27,30);2-10,18,31-32H,11H2,1H3,(H,26,28,30);1-9,17,31-32H,10H2,(H,26,28,30);1H4/t19-;2*18-;17-;18-;17-;/m111111./s1
InChIKeyLIUUNWURWSDCHN-UGRYWMMCSA-N
XLogP26.17
TPSA611.41 Ų
H-Bond Donors18
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002667.50
LogP ≤ 526.17
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1041

Analyze (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol (CID 159363373) is (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol is C.Cc1cc([C@H](O)CO)cnc1-c1cc2ccnc(Nc3ccc(C(F)(F)F)cn3)c2cn1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)nccc2c1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)nccc2n1.Cc1cc([C@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)ncnc2c1.Cc1cc([C@H](O)CO)cnc1-c1cnc2c(Nc3ccc(C(F)(F)F)cn3)nccc2c1.OC[C@@H](O)c1cnc(-c2cc3ccnc(Nc4ccc(C(F)(F)F)cn4)c3cn2)c(F)c1.
What is the InChIKey of (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol?
The InChIKey is LIUUNWURWSDCHN-UGRYWMMCSA-N. The full InChI is InChI=1S/C23H19F3N4O2.4C22H18F3N5O2.C21H15F4N5O2.CH4/c1-13-8-16(19(32)12-31)10-29-21(13)15-2-4-18-14(9-15)6-7-27-22(18)30-20-5-3-17(11-28-20)23(24,25)26;1-12-8-13(18(32)11-31)9-28-20(12)17-4-3-15-16(29-17)6-7-26-21(15)30-19-5-2-14(10-27-19)22(23,24)25;1-12-6-14(18(32)10-31)8-27-20(12)13-2-4-16-17(7-13)28-11-29-21(16)30-19-5-3-15(9-26-19)22(23,24)25;1-12-6-14(17(32)11-31)8-28-19(12)15-7-13-4-5-26-21(20(13)29-9-15)30-18-3-2-16(10-27-18)22(23,24)25;1-12-6-14(18(32)11-31)8-29-20(12)17-7-13-4-5-26-21(16(13)10-27-17)30-19-3-2-15(9-28-19)22(23,24)25;22-15-5-12(17(32)10-31)7-29-19(15)16-6-11-3-4-26-20(14(11)9-27-16)30-18-2-1-13(8-28-18)21(23,24)25;/h2-11,19,31-32H,12H2,1H3,(H,27,28,30);2-10,18,31-32H,11H2,1H3,(H,26,27,30);2-9,11,18,31-32H,10H2,1H3,(H,26,28,29,30);2-10,17,31-32H,11H2,1H3,(H,26,27,30);2-10,18,31-32H,11H2,1H3,(H,26,28,30);1-9,17,31-32H,10H2,(H,26,28,30);1H4/t19-;2*18-;17-;18-;17-;/m111111./s1.
What are the key properties of (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol?
(1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol has a molecular weight of 2667.50 g/mol, XLogP of 26.17, 30 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 159363373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).