1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea

C161H176F3N45O18 — CID 163422290

IUPAC1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)C1.CN(C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)C1.CN1CCCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)CC1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3ccc(C(F)(F)F)n3n2)cc1)Nc1cccnc1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NC(CO)CO.O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1
InChIInChI=1S/3C30H34N8O3.C28H30N8O3.C23H20F3N7O2.C20H24N6O4/c2*1-35(2)25-13-15-37(20-25)29(39)22-7-11-24(12-8-22)32-30(40)31-23-9-5-21(6-10-23)27-33-28(36-16-18-41-19-17-36)26-4-3-14-38(26)34-27;1-35-13-3-14-37(17-16-35)29(39)23-7-11-25(12-8-23)32-30(40)31-24-9-5-22(6-10-24)27-33-28(36-18-20-41-21-19-36)26-4-2-15-38(26)34-27;37-27(35-14-11-29-12-15-35)21-5-9-23(10-6-21)31-28(38)30-22-7-3-20(4-8-22)25-32-26(34-16-18-39-19-17-34)24-2-1-13-36(24)33-25;24-23(25,26)19-8-7-18-21(32-10-12-35-13-11-32)30-20(31-33(18)19)15-3-5-16(6-4-15)28-22(34)29-17-2-1-9-27-14-17;27-12-16(13-28)22-20(29)21-15-5-3-14(4-6-15)18-23-19(25-8-10-30-11-9-25)17-2-1-7-26(17)24-18/h2*3-12,14,25H,13,15-20H2,1-2H3,(H2,31,32,40);2,4-12,15H,3,13-14,16-21H2,1H3,(H2,31,32,40);1-10,13,29H,11-12,14-19H2,(H2,30,31,38);1-9,14H,10-13H2,(H2,28,29,34);1-7,16,27-28H,8-13H2,(H2,21,22,29)/t2*25-;;;;/m11..../s1
InChIKeyAJLRHMYZHODLTI-ZZMFIOMRSA-N
MW3086.47 g/mol
LogP18.88
Rot. Bonds32

About 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea

1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea (PubChem CID 163422290) has the molecular formula C161H176F3N45O18 and a molecular weight of 3086.47 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea
PubChem CID163422290
Molecular FormulaC161H176F3N45O18
Molecular Weight3086.47 g/mol
Exact Mass3084.42
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)C1.CN(C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)C1.CN1CCCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)CC1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3ccc(C(F)(F)F)n3n2)cc1)Nc1cccnc1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NC(CO)CO.O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1
InChIInChI=1S/3C30H34N8O3.C28H30N8O3.C23H20F3N7O2.C20H24N6O4/c2*1-35(2)25-13-15-37(20-25)29(39)22-7-11-24(12-8-22)32-30(40)31-23-9-5-21(6-10-23)27-33-28(36-16-18-41-19-17-36)26-4-3-14-38(26)34-27;1-35-13-3-14-37(17-16-35)29(39)23-7-11-25(12-8-23)32-30(40)31-24-9-5-22(6-10-24)27-33-28(36-18-20-41-21-19-36)26-4-2-15-38(26)34-27;37-27(35-14-11-29-12-15-35)21-5-9-23(10-6-21)31-28(38)30-22-7-3-20(4-8-22)25-32-26(34-16-18-39-19-17-34)24-2-1-13-36(24)33-25;24-23(25,26)19-8-7-18-21(32-10-12-35-13-11-32)30-20(31-33(18)19)15-3-5-16(6-4-15)28-22(34)29-17-2-1-9-27-14-17;27-12-16(13-28)22-20(29)21-15-5-3-14(4-6-15)18-23-19(25-8-10-30-11-9-25)17-2-1-7-26(17)24-18/h2*3-12,14,25H,13,15-20H2,1-2H3,(H2,31,32,40);2,4-12,15H,3,13-14,16-21H2,1H3,(H2,31,32,40);1-10,13,29H,11-12,14-19H2,(H2,30,31,38);1-9,14H,10-13H2,(H2,28,29,34);1-7,16,27-28H,8-13H2,(H2,21,22,29)/t2*25-;;;;/m11..../s1
InChIKeyAJLRHMYZHODLTI-ZZMFIOMRSA-N
XLogP18.88
TPSA659.08 Ų
H-Bond Donors15
H-Bond Acceptors47
Rotatable Bonds32
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.47
LogP ≤ 518.88
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1047

Analyze 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

4-[[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzoic acid;1-[4-(7-tert-butyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]urea;methane;1-methylpiperazine
CID 159164191
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;N,N-dimethylpiperidin-4-amine;methane;4-[[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzoic acid
CID 159819133
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea
CID 118084841
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea
CID 145420462
1-[4-[3-(dimethylaminosulfanyl)imidazolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea
CID 166969861
1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 145420418
2-isocyano-1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylguanidine
CID 153499686
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(5-ethyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 42634969
1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-[4-morpholin-4-yl-6-(4-propan-2-yl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 66586075
1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 69051616
1-cyano-2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylguanidine
CID 146670460
1-[4-(6-fluoro-4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 68918416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea (CID 163422290) is 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea is CN(C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)C1.CN(C)[C@@H]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)C1.CN1CCCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cccn5n4)cc3)cc2)CC1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3ccc(C(F)(F)F)n3n2)cc1)Nc1cccnc1.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)NC(CO)CO.O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?
The InChIKey is AJLRHMYZHODLTI-ZZMFIOMRSA-N. The full InChI is InChI=1S/3C30H34N8O3.C28H30N8O3.C23H20F3N7O2.C20H24N6O4/c2*1-35(2)25-13-15-37(20-25)29(39)22-7-11-24(12-8-22)32-30(40)31-23-9-5-21(6-10-23)27-33-28(36-16-18-41-19-17-36)26-4-3-14-38(26)34-27;1-35-13-3-14-37(17-16-35)29(39)23-7-11-25(12-8-23)32-30(40)31-24-9-5-22(6-10-24)27-33-28(36-18-20-41-21-19-36)26-4-2-15-38(26)34-27;37-27(35-14-11-29-12-15-35)21-5-9-23(10-6-21)31-28(38)30-22-7-3-20(4-8-22)25-32-26(34-16-18-39-19-17-34)24-2-1-13-36(24)33-25;24-23(25,26)19-8-7-18-21(32-10-12-35-13-11-32)30-20(31-33(18)19)15-3-5-16(6-4-15)28-22(34)29-17-2-1-9-27-14-17;27-12-16(13-28)22-20(29)21-15-5-3-14(4-6-15)18-23-19(25-8-10-30-11-9-25)17-2-1-7-26(17)24-18/h2*3-12,14,25H,13,15-20H2,1-2H3,(H2,31,32,40);2,4-12,15H,3,13-14,16-21H2,1H3,(H2,31,32,40);1-10,13,29H,11-12,14-19H2,(H2,30,31,38);1-9,14H,10-13H2,(H2,28,29,34);1-7,16,27-28H,8-13H2,(H2,21,22,29)/t2*25-;;;;/m11..../s1.
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?
1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea has a molecular weight of 3086.47 g/mol, XLogP of 18.88, 32 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;bis(1-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea);1-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(piperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 163422290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).