N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide

C142H146F5N23O12S2 — CID 158079634

IUPACN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C4(O)CCNCC4)c4c3OCC4)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12
InChIInChI=1S/C30H28F3N5O3.C29H28FN5O3.C29H32N4O2S.C28H27FN4O3.C26H31N5OS/c1-40-25-15-18(30(31,32)33)5-6-20(25)21-4-2-3-17-16-35-29(38-26(17)21)37-24-8-7-23(22-11-14-41-27(22)24)28(39)36-19-9-12-34-13-10-19;1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19;1-17-25(20-7-5-6-8-23(20)34-4)26-24(36-17)16-31-28(33-26)32-22-10-9-19(18-11-13-30-14-12-18)21-15-29(2,3)35-27(21)22;1-35-24-15-18(29)5-6-19(24)20-4-2-3-17-16-31-27(33-25(17)20)32-23-8-7-22(21-9-14-36-26(21)23)28(34)10-12-30-13-11-28;1-16(2)31-23(14-20(30-31)18-10-6-5-7-11-18)28-26-27-15-22-25(29-26)24(17(3)33-22)19-12-8-9-13-21(19)32-4/h2-8,15-16,19,34H,9-14H2,1H3,(H,36,39)(H,35,37,38);2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35);5-10,16,18,30H,11-15H2,1-4H3,(H,31,32,33);2-8,15-16,30,34H,9-14H2,1H3,(H,31,32,33);8-9,12-16,18H,5-7,10-11H2,1-4H3,(H,27,28,29)
InChIKeyFMUGWGPNZVSLQS-UHFFFAOYSA-N
MW2526.00 g/mol
LogP28.63
Rot. Bonds28

About N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide

N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide (PubChem CID 158079634) has the molecular formula C142H146F5N23O12S2 and a molecular weight of 2526.00 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide
PubChem CID158079634
Molecular FormulaC142H146F5N23O12S2
Molecular Weight2526.00 g/mol
Exact Mass2524.09
IUPAC NameN-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C4(O)CCNCC4)c4c3OCC4)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12
InChIInChI=1S/C30H28F3N5O3.C29H28FN5O3.C29H32N4O2S.C28H27FN4O3.C26H31N5OS/c1-40-25-15-18(30(31,32)33)5-6-20(25)21-4-2-3-17-16-35-29(38-26(17)21)37-24-8-7-23(22-11-14-41-27(22)24)28(39)36-19-9-12-34-13-10-19;1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19;1-17-25(20-7-5-6-8-23(20)34-4)26-24(36-17)16-31-28(33-26)32-22-10-9-19(18-11-13-30-14-12-18)21-15-29(2,3)35-27(21)22;1-35-24-15-18(29)5-6-19(24)20-4-2-3-17-16-31-27(33-25(17)20)32-23-8-7-22(21-9-14-36-26(21)23)28(34)10-12-30-13-11-28;1-16(2)31-23(14-20(30-31)18-10-6-5-7-11-18)28-26-27-15-22-25(29-26)24(17(3)33-22)19-12-8-9-13-21(19)32-4/h2-8,15-16,19,34H,9-14H2,1H3,(H,36,39)(H,35,37,38);2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35);5-10,16,18,30H,11-15H2,1-4H3,(H,31,32,33);2-8,15-16,30,34H,9-14H2,1H3,(H,31,32,33);8-9,12-16,18H,5-7,10-11H2,1-4H3,(H,27,28,29)
InChIKeyFMUGWGPNZVSLQS-UHFFFAOYSA-N
XLogP28.63
TPSA416.49 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002526.00
LogP ≤ 528.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide
CID 157419608
CID 160053814
CID 160053814
8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol
CID 161329325
4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;1-[4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]prop-2-en-1-one;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide
CID 161681960
CID 162123365
CID 162123365
tert-butyl (1S,4S)-5-[6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-[[4-[[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-methylcarbamoyl]phenyl]methoxy]-2-(oxan-4-yloxy)quinazolin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 176855031
(2S,4R)-1-[(2S)-2-[7-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-4-hydroxy-N-[[2-(1-methylpiperidin-4-yl)oxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 176976207
(2S,4R)-1-[(2S)-2-[7-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[2-(1-methylpiperidin-4-yl)oxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 176976224
(2S,4R)-1-[(2S)-2-[7-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-piperidin-4-ylethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 176976251
(2S,4R)-1-[(2S)-2-[7-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)-2-piperidin-4-yloxyphenyl]ethyl]pyrrolidine-2-carboxamide
CID 176976435
(2S,4R)-1-[(2S)-2-[7-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-4-hydroxy-N-[[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 176976595
(2S,4R)-1-[(2S)-2-[7-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-piperidin-4-yloxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 176976690

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide?
The IUPAC name of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide (CID 158079634) is N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide is COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C4(O)CCNCC4)c4c3OCC4)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12.
What is the InChIKey of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide?
The InChIKey is FMUGWGPNZVSLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O3.C29H28FN5O3.C29H32N4O2S.C28H27FN4O3.C26H31N5OS/c1-40-25-15-18(30(31,32)33)5-6-20(25)21-4-2-3-17-16-35-29(38-26(17)21)37-24-8-7-23(22-11-14-41-27(22)24)28(39)36-19-9-12-34-13-10-19;1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19;1-17-25(20-7-5-6-8-23(20)34-4)26-24(36-17)16-31-28(33-26)32-22-10-9-19(18-11-13-30-14-12-18)21-15-29(2,3)35-27(21)22;1-35-24-15-18(29)5-6-19(24)20-4-2-3-17-16-31-27(33-25(17)20)32-23-8-7-22(21-9-14-36-26(21)23)28(34)10-12-30-13-11-28;1-16(2)31-23(14-20(30-31)18-10-6-5-7-11-18)28-26-27-15-22-25(29-26)24(17(3)33-22)19-12-8-9-13-21(19)32-4/h2-8,15-16,19,34H,9-14H2,1H3,(H,36,39)(H,35,37,38);2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35);5-10,16,18,30H,11-15H2,1-4H3,(H,31,32,33);2-8,15-16,30,34H,9-14H2,1H3,(H,31,32,33);8-9,12-16,18H,5-7,10-11H2,1-4H3,(H,27,28,29).
What are the key properties of N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide?
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide has a molecular weight of 2526.00 g/mol, XLogP of 28.63, 28 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;4-[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 158079634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).