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

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 Name5-[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 CID158745435
Molecular FormulaC118H150F15N39O9S3
Molecular Weight2639.93 g/mol
Exact Mass2638.14
IUPAC Name5-[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
XLogP12.44
TPSA505.29 Ų
H-Bond Donors5
H-Bond Acceptors47
Rotatable Bonds24
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002639.93
LogP ≤ 512.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1047

Analyze 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 with MolForge

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Related Compounds

5-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo [2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 72549554
1-(4-Fluorophenyl)-3-(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl)urea
CID 72549555
(S)-5-(4-(3-methylmorpholino)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 72550013
N-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[[4-[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]morpholin-2-yl]-8-[4-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-amine
CID 91063263
5-[4-(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
CID 117988199
5-[6-[(4-Methylsulfonylpiperazin-1-yl)methyl]-4-(2-oxa-5-azabicyclo[2.2.2]octan-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 123999714
Ethane;5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 145674934
5-[7-Methyl-4-morpholin-4-yl-6-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 146544504
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
CID 146544517
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
CID 146544519
1-Methyl-3-[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-yl]urea
CID 146544522
1-[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-yl]-3-propan-2-ylurea
CID 146544525

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).