5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
C118H150F15N39O9S3 — CID 158745435
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1.Cc1c(CN2CCC(N(C)C)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(S(C)(=O)=O)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(S(C)(=O)=O)CC2)cc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCSCC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C25H33F3N8O.C24H31F3N8O3S.C24H31F3N8O.C23H29F3N8O3S.C22H26F3N7OS/c1-16-17(15-34-6-4-18(5-7-34)33(2)3)12-21-24(35-8-10-37-11-9-35)31-23(32-36(16)21)19-14-30-22(29)13-20(19)25(26,27)28;1-15-14-38-9-8-34(15)23-20-10-17(13-32-4-6-33(7-5-32)39(3,36)37)16(2)35(20)31-22(30-23)18-12-29-21(28)11-19(18)24(25,26)27;1-3-32-4-6-33(7-5-32)15-17-12-20-23(34-8-10-36-11-9-34)30-22(31-35(20)16(17)2)18-14-29-21(28)13-19(18)24(25,26)27;1-15-16(14-31-3-5-33(6-4-31)38(2,35)36)11-19-22(32-7-9-37-10-8-32)29-21(30-34(15)19)17-13-28-20(27)12-18(17)23(24,25)26;1-14-15(13-30-4-8-34-9-5-30)10-18-21(31-2-6-33-7-3-31)28-20(29-32(14)18)16-12-27-19(26)11-17(16)22(23,24)25/h12-14,18H,4-11,15H2,1-3H3,(H2,29,30);10-12,15H,4-9,13-14H2,1-3H3,(H2,28,29);12-14H,3-11,15H2,1-2H3,(H2,28,29);11-13H,3-10,14H2,1-2H3,(H2,27,28);10-12H,2-9,13H2,1H3,(H2,26,27)/t;15-;;;/m.0.../s1
InChIKeyIMVCVRRZYYXIRV-MRIILSCHSA-N
MW2639.93 g/mol
LogP12.44
Rot. Bonds24
About 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158745435) has the molecular formula C118H150F15N39O9S3 and a molecular weight of 2639.93 g/mol. Its IUPAC name is 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
Molecular Properties
| Compound Name | 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine |
|---|---|
| PubChem CID | 158745435 |
| Molecular Formula | C118H150F15N39O9S3 |
| Molecular Weight | 2639.93 g/mol |
| Exact Mass | 2638.14 |
| IUPAC Name | 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine |
| SMILES | CCN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1.Cc1c(CN2CCC(N(C)C)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(S(C)(=O)=O)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(S(C)(=O)=O)CC2)cc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCSCC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12 |
| InChI | InChI=1S/C25H33F3N8O.C24H31F3N8O3S.C24H31F3N8O.C23H29F3N8O3S.C22H26F3N7OS/c1-16-17(15-34-6-4-18(5-7-34)33(2)3)12-21-24(35-8-10-37-11-9-35)31-23(32-36(16)21)19-14-30-22(29)13-20(19)25(26,27)28;1-15-14-38-9-8-34(15)23-20-10-17(13-32-4-6-33(7-5-32)39(3,36)37)16(2)35(20)31-22(30-23)18-12-29-21(28)11-19(18)24(25,26)27;1-3-32-4-6-33(7-5-32)15-17-12-20-23(34-8-10-36-11-9-34)30-22(31-35(20)16(17)2)18-14-29-21(28)13-19(18)24(25,26)27;1-15-16(14-31-3-5-33(6-4-31)38(2,35)36)11-19-22(32-7-9-37-10-8-32)29-21(30-34(15)19)17-13-28-20(27)12-18(17)23(24,25)26;1-14-15(13-30-4-8-34-9-5-30)10-18-21(31-2-6-33-7-3-31)28-20(29-32(14)18)16-12-27-19(26)11-17(16)22(23,24)25/h12-14,18H,4-11,15H2,1-3H3,(H2,29,30);10-12,15H,4-9,13-14H2,1-3H3,(H2,28,29);12-14H,3-11,15H2,1-2H3,(H2,28,29);11-13H,3-10,14H2,1-2H3,(H2,27,28);10-12H,2-9,13H2,1H3,(H2,26,27)/t;15-;;;/m.0.../s1 |
| InChIKey | IMVCVRRZYYXIRV-MRIILSCHSA-N |
| XLogP | 12.44 |
| TPSA | 505.29 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 184 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2639.93 |
| LogP ≤ 5 | 12.44 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 47 |
Frequently Asked Questions
What is the IUPAC name of 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 158745435) is 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is CCN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2C)CC1.Cc1c(CN2CCC(N(C)C)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(S(C)(=O)=O)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCN(S(C)(=O)=O)CC2)cc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)cc3C(F)(F)F)nn12.Cc1c(CN2CCSCC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.
What is the InChIKey of 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IMVCVRRZYYXIRV-MRIILSCHSA-N. The full InChI is InChI=1S/C25H33F3N8O.C24H31F3N8O3S.C24H31F3N8O.C23H29F3N8O3S.C22H26F3N7OS/c1-16-17(15-34-6-4-18(5-7-34)33(2)3)12-21-24(35-8-10-37-11-9-35)31-23(32-36(16)21)19-14-30-22(29)13-20(19)25(26,27)28;1-15-14-38-9-8-34(15)23-20-10-17(13-32-4-6-33(7-5-32)39(3,36)37)16(2)35(20)31-22(30-23)18-12-29-21(28)11-19(18)24(25,26)27;1-3-32-4-6-33(7-5-32)15-17-12-20-23(34-8-10-36-11-9-34)30-22(31-35(20)16(17)2)18-14-29-21(28)13-19(18)24(25,26)27;1-15-16(14-31-3-5-33(6-4-31)38(2,35)36)11-19-22(32-7-9-37-10-8-32)29-21(30-34(15)19)17-13-28-20(27)12-18(17)23(24,25)26;1-14-15(13-30-4-8-34-9-5-30)10-18-21(31-2-6-33-7-3-31)28-20(29-32(14)18)16-12-27-19(26)11-17(16)22(23,24)25/h12-14,18H,4-11,15H2,1-3H3,(H2,29,30);10-12,15H,4-9,13-14H2,1-3H3,(H2,28,29);12-14H,3-11,15H2,1-2H3,(H2,28,29);11-13H,3-10,14H2,1-2H3,(H2,27,28);10-12H,2-9,13H2,1H3,(H2,26,27)/t;15-;;;/m.0.../s1.
What are the key properties of 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2639.93 g/mol, XLogP of 12.44, 24 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158745435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158745435 — identifiers, structure, computed properties (public domain)
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