3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol

C159H135F4N29O12 — CID 158005298

IUPAC3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol
SMILESCC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(O)c4)n3)c2F)C1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4O)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1nc2ccc(Nc3ccnc(Cc4cccc(O)c4)n3)cc2o1
InChIInChI=1S/3C20H17FN4O.C20H16FN3O2.C20H18N4O.2C20H17N3O2.C19H16N4O2/c1-12-10-15-16(23-12)6-7-17(20(15)21)24-18-8-9-22-19(25-18)11-13-2-4-14(26)5-3-13;1-12-9-15-16(23-12)5-6-17(20(15)21)24-18-7-8-22-19(25-18)11-13-3-2-4-14(26)10-13;1-12-10-14-15(23-12)6-7-16(20(14)21)24-18-8-9-22-19(25-18)11-13-4-2-3-5-17(13)26;1-12-9-13-5-6-17(19(21)16(13)10-12)26-18-7-8-22-20(24-18)23-14-3-2-4-15(25)11-14;1-13-10-15-12-16(4-7-18(15)22-13)23-19-8-9-21-20(24-19)11-14-2-5-17(25)6-3-14;1-13-10-15-12-17(6-7-18(15)22-13)25-20-8-9-21-19(23-20)11-14-2-4-16(24)5-3-14;1-13-9-15-12-17(5-6-18(15)22-13)25-20-7-8-21-19(23-20)11-14-3-2-4-16(24)10-14;1-12-21-16-6-5-14(11-17(16)25-12)22-18-7-8-20-19(23-18)10-13-3-2-4-15(24)9-13/h3*2-10,23,26H,11H2,1H3,(H,22,24,25);2-8,10-11,25H,9H2,1H3,(H,22,23,24);2-10,12,22,25H,11H2,1H3,(H,21,23,24);2*2-10,12,22,24H,11H2,1H3;2-9,11,24H,10H2,1H3,(H,20,22,23)
InChIKeyFEFILOPCOCHHFK-UHFFFAOYSA-N
MW2720.01 g/mol
LogP35.14
Rot. Bonds32

About 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol

3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol (PubChem CID 158005298) has the molecular formula C159H135F4N29O12 and a molecular weight of 2720.01 g/mol. Its IUPAC name is 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol
PubChem CID158005298
Molecular FormulaC159H135F4N29O12
Molecular Weight2720.01 g/mol
Exact Mass2718.08
IUPAC Name3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol
SMILESCC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(O)c4)n3)c2F)C1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4O)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1nc2ccc(Nc3ccnc(Cc4cccc(O)c4)n3)cc2o1
InChIInChI=1S/3C20H17FN4O.C20H16FN3O2.C20H18N4O.2C20H17N3O2.C19H16N4O2/c1-12-10-15-16(23-12)6-7-17(20(15)21)24-18-8-9-22-19(25-18)11-13-2-4-14(26)5-3-13;1-12-9-15-16(23-12)5-6-17(20(15)21)24-18-7-8-22-19(25-18)11-13-3-2-4-14(26)10-13;1-12-10-14-15(23-12)6-7-16(20(14)21)24-18-8-9-22-19(25-18)11-13-4-2-3-5-17(13)26;1-12-9-13-5-6-17(19(21)16(13)10-12)26-18-7-8-22-20(24-18)23-14-3-2-4-15(25)11-14;1-13-10-15-12-16(4-7-18(15)22-13)23-19-8-9-21-20(24-19)11-14-2-5-17(25)6-3-14;1-13-10-15-12-17(6-7-18(15)22-13)25-20-8-9-21-19(23-20)11-14-2-4-16(24)5-3-14;1-13-9-15-12-17(5-6-18(15)22-13)25-20-7-8-21-19(23-20)11-14-3-2-4-16(24)10-14;1-12-21-16-6-5-14(11-17(16)25-12)22-18-7-8-20-19(23-18)10-13-3-2-4-15(24)9-13/h3*2-10,23,26H,11H2,1H3,(H,22,24,25);2-8,10-11,25H,9H2,1H3,(H,22,23,24);2-10,12,22,25H,11H2,1H3,(H,21,23,24);2*2-10,12,22,24H,11H2,1H3;2-9,11,24H,10H2,1H3,(H,20,22,23)
InChIKeyFEFILOPCOCHHFK-UHFFFAOYSA-N
XLogP35.14
TPSA588.72 Ų
H-Bond Donors20
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002720.01
LogP ≤ 535.14
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1035

Analyze 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
CID 59823226
[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonic acid
CID 89427711
2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole
CID 157487820
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrimidin-2-amine
CID 59823290
N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
CID 161036256
N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-hydroxybutan-1-one;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-methyl-4-oxobutanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-fluoro-2-methyl-5-[2-[[3-(oxan-4-ylmethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 158162317
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol
CID 59823282
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-[(3R)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine
CID 59823335
1,1,1-trifluoro-N-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71057264
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine
CID 71201555
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(1-sulfanylpiperidin-4-yl)oxyphenyl]pyrimidine-2,4-diamine
CID 145496907

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol?
The IUPAC name of 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol (CID 158005298) is 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol is CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(O)c4)n3)c2F)C1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Cc4ccccc4O)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4ccc(O)cc4)n3)ccc2[nH]1.Cc1cc2cc(Oc3ccnc(Cc4cccc(O)c4)n3)ccc2[nH]1.Cc1nc2ccc(Nc3ccnc(Cc4cccc(O)c4)n3)cc2o1.
What is the InChIKey of 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol?
The InChIKey is FEFILOPCOCHHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H17FN4O.C20H16FN3O2.C20H18N4O.2C20H17N3O2.C19H16N4O2/c1-12-10-15-16(23-12)6-7-17(20(15)21)24-18-8-9-22-19(25-18)11-13-2-4-14(26)5-3-13;1-12-9-15-16(23-12)5-6-17(20(15)21)24-18-7-8-22-19(25-18)11-13-3-2-4-14(26)10-13;1-12-10-14-15(23-12)6-7-16(20(14)21)24-18-8-9-22-19(25-18)11-13-4-2-3-5-17(13)26;1-12-9-13-5-6-17(19(21)16(13)10-12)26-18-7-8-22-20(24-18)23-14-3-2-4-15(25)11-14;1-13-10-15-12-16(4-7-18(15)22-13)23-19-8-9-21-20(24-19)11-14-2-5-17(25)6-3-14;1-13-10-15-12-17(6-7-18(15)22-13)25-20-8-9-21-19(23-20)11-14-2-4-16(24)5-3-14;1-13-9-15-12-17(5-6-18(15)22-13)25-20-7-8-21-19(23-20)11-14-3-2-4-16(24)10-14;1-12-21-16-6-5-14(11-17(16)25-12)22-18-7-8-20-19(23-18)10-13-3-2-4-15(24)9-13/h3*2-10,23,26H,11H2,1H3,(H,22,24,25);2-8,10-11,25H,9H2,1H3,(H,22,23,24);2-10,12,22,25H,11H2,1H3,(H,21,23,24);2*2-10,12,22,24H,11H2,1H3;2-9,11,24H,10H2,1H3,(H,20,22,23).
What are the key properties of 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol?
3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol has a molecular weight of 2720.01 g/mol, XLogP of 35.14, 32 rotatable bonds, 20 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol is sourced from PubChem (CID 158005298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).