1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea

C92H106N34O10 — CID 158798459

IUPAC1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea
SMILESC[C@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2cccn2n1.Nc1nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2[nH]1.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(Nc1cccnc1)NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1
InChIInChI=1S/C21H26N8O2.C20H24N6O3.C19H22N6O3.C17H17N7O.C15H17N7O/c30-21(24-17-3-1-7-22-15-17)23-16-5-9-28(10-6-16)20-25-19(27-11-13-31-14-12-27)18-4-2-8-29(18)26-20;1-14(27)13-21-20(28)22-16-6-4-15(5-7-16)18-23-19(25-9-11-29-12-10-25)17-3-2-8-26(17)24-18;26-11-7-20-19(27)21-15-5-3-14(4-6-15)17-22-18(24-9-12-28-13-10-24)16-2-1-8-25(16)23-17;18-17-19-12-4-3-11(10-13(12)20-17)15-21-16(23-6-8-25-9-7-23)14-2-1-5-24(14)22-15;1-10-11(9-17-15(16)18-10)13-19-14(21-5-7-23-8-6-21)12-3-2-4-22(12)20-13/h1-4,7-8,15-16H,5-6,9-14H2,(H2,23,24,30);2-8,14,27H,9-13H2,1H3,(H2,21,22,28);1-6,8,26H,7,9-13H2,(H2,20,21,27);1-5,10H,6-9H2,(H3,18,19,20);2-4,9H,5-8H2,1H3,(H2,16,17,18)/t;14-;;;/m.0.../s1
InChIKeyITDXBTQESSUBNB-ONKSPNTESA-N
MW1848.09 g/mol
LogP7.44
Rot. Bonds18

About 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea

1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea (PubChem CID 158798459) has the molecular formula C92H106N34O10 and a molecular weight of 1848.09 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea
PubChem CID158798459
Molecular FormulaC92H106N34O10
Molecular Weight1848.09 g/mol
Exact Mass1846.88
IUPAC Name1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea
SMILESC[C@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2cccn2n1.Nc1nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2[nH]1.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(Nc1cccnc1)NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1
InChIInChI=1S/C21H26N8O2.C20H24N6O3.C19H22N6O3.C17H17N7O.C15H17N7O/c30-21(24-17-3-1-7-22-15-17)23-16-5-9-28(10-6-16)20-25-19(27-11-13-31-14-12-27)18-4-2-8-29(18)26-20;1-14(27)13-21-20(28)22-16-6-4-15(5-7-16)18-23-19(25-9-11-29-12-10-25)17-3-2-8-26(17)24-18;26-11-7-20-19(27)21-15-5-3-14(4-6-15)17-22-18(24-9-12-28-13-10-24)16-2-1-8-25(16)23-17;18-17-19-12-4-3-11(10-13(12)20-17)15-21-16(23-6-8-25-9-7-23)14-2-1-5-24(14)22-15;1-10-11(9-17-15(16)18-10)13-19-14(21-5-7-23-8-6-21)12-3-2-4-22(12)20-13/h1-4,7-8,15-16H,5-6,9-14H2,(H2,23,24,30);2-8,14,27H,9-13H2,1H3,(H2,21,22,28);1-6,8,26H,7,9-13H2,(H2,20,21,27);1-5,10H,6-9H2,(H3,18,19,20);2-4,9H,5-8H2,1H3,(H2,16,17,18)/t;14-;;;/m.0.../s1
InChIKeyITDXBTQESSUBNB-ONKSPNTESA-N
XLogP7.44
TPSA499.78 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.09
LogP ≤ 57.44
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Analyze 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea (CID 158798459) is 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea is C[C@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2cccn2n1.Nc1nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2[nH]1.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(Nc1cccnc1)NC1CCN(c2nc(N3CCOCC3)c3cccn3n2)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
The InChIKey is ITDXBTQESSUBNB-ONKSPNTESA-N. The full InChI is InChI=1S/C21H26N8O2.C20H24N6O3.C19H22N6O3.C17H17N7O.C15H17N7O/c30-21(24-17-3-1-7-22-15-17)23-16-5-9-28(10-6-16)20-25-19(27-11-13-31-14-12-27)18-4-2-8-29(18)26-20;1-14(27)13-21-20(28)22-16-6-4-15(5-7-16)18-23-19(25-9-11-29-12-10-25)17-3-2-8-26(17)24-18;26-11-7-20-19(27)21-15-5-3-14(4-6-15)17-22-18(24-9-12-28-13-10-24)16-2-1-8-25(16)23-17;18-17-19-12-4-3-11(10-13(12)20-17)15-21-16(23-6-8-25-9-7-23)14-2-1-5-24(14)22-15;1-10-11(9-17-15(16)18-10)13-19-14(21-5-7-23-8-6-21)12-3-2-4-22(12)20-13/h1-4,7-8,15-16H,5-6,9-14H2,(H2,23,24,30);2-8,14,27H,9-13H2,1H3,(H2,21,22,28);1-6,8,26H,7,9-13H2,(H2,20,21,27);1-5,10H,6-9H2,(H3,18,19,20);2-4,9H,5-8H2,1H3,(H2,16,17,18)/t;14-;;;/m.0.../s1.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea has a molecular weight of 1848.09 g/mol, XLogP of 7.44, 18 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;4-methyl-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine;1-[1-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)piperidin-4-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 158798459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).