1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide

C49H53F6N15O5 — CID 160782013

IUPAC1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2nc(-c3cccc(C(F)(F)F)n3)nn3ccc(CNCC(C)(C)O)c23)ccn1.CC(C)(O)CN.CCc1ccn2nc(-c3cccc(C(F)(F)F)n3)nc(Nc3ccnc(NC(C)=O)c3)c12
InChIInChI=1S/C24H24F3N7O3.C21H18F3N7O.C4H11NO/c1-14(35)30-19-11-16(7-9-29-19)37-22-20-15(12-28-13-23(2,3)36)8-10-34(20)33-21(32-22)17-5-4-6-18(31-17)24(25,26)27;1-3-13-8-10-31-18(13)20(27-14-7-9-25-17(11-14)26-12(2)32)29-19(30-31)15-5-4-6-16(28-15)21(22,23)24;1-4(2,6)3-5/h4-11,28,36H,12-13H2,1-3H3,(H,29,30,35);4-11H,3H2,1-2H3,(H2,25,26,27,29,30,32);6H,3,5H2,1-2H3
InChIKeySARZOABUPYBYLI-UHFFFAOYSA-N
MW1046.05 g/mol
LogP8.00
Rot. Bonds14

About 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide

1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide (PubChem CID 160782013) has the molecular formula C49H53F6N15O5 and a molecular weight of 1046.05 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide
PubChem CID160782013
Molecular FormulaC49H53F6N15O5
Molecular Weight1046.05 g/mol
Exact Mass1045.43
IUPAC Name1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2nc(-c3cccc(C(F)(F)F)n3)nn3ccc(CNCC(C)(C)O)c23)ccn1.CC(C)(O)CN.CCc1ccn2nc(-c3cccc(C(F)(F)F)n3)nc(Nc3ccnc(NC(C)=O)c3)c12
InChIInChI=1S/C24H24F3N7O3.C21H18F3N7O.C4H11NO/c1-14(35)30-19-11-16(7-9-29-19)37-22-20-15(12-28-13-23(2,3)36)8-10-34(20)33-21(32-22)17-5-4-6-18(31-17)24(25,26)27;1-3-13-8-10-31-18(13)20(27-14-7-9-25-17(11-14)26-12(2)32)29-19(30-31)15-5-4-6-16(28-15)21(22,23)24;1-4(2,6)3-5/h4-11,28,36H,12-13H2,1-3H3,(H,29,30,35);4-11H,3H2,1-2H3,(H2,25,26,27,29,30,32);6H,3,5H2,1-2H3
InChIKeySARZOABUPYBYLI-UHFFFAOYSA-N
XLogP8.00
TPSA269.91 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001046.05
LogP ≤ 58.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)pyridin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851039
2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287699
US9884048, Example 277
CID 121416508
US9884048, Example 276
CID 121416548
US9884048, Example 275
CID 121416567
US10336761, Example 75
CID 126484356
US9914731, Ex. No. 115
CID 145866393
US9914731, Ex. No. 116
CID 145866394
US9914731, Ex. No. 124
CID 145866401
US9914731, Ex. No. 130
CID 145866407
US9914731, Ex. No. 131
CID 145866408

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide (CID 160782013) is 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2nc(-c3cccc(C(F)(F)F)n3)nn3ccc(CNCC(C)(C)O)c23)ccn1.CC(C)(O)CN.CCc1ccn2nc(-c3cccc(C(F)(F)F)n3)nc(Nc3ccnc(NC(C)=O)c3)c12.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is SARZOABUPYBYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3.C21H18F3N7O.C4H11NO/c1-14(35)30-19-11-16(7-9-29-19)37-22-20-15(12-28-13-23(2,3)36)8-10-34(20)33-21(32-22)17-5-4-6-18(31-17)24(25,26)27;1-3-13-8-10-31-18(13)20(27-14-7-9-25-17(11-14)26-12(2)32)29-19(30-31)15-5-4-6-16(28-15)21(22,23)24;1-4(2,6)3-5/h4-11,28,36H,12-13H2,1-3H3,(H,29,30,35);4-11H,3H2,1-2H3,(H2,25,26,27,29,30,32);6H,3,5H2,1-2H3.
What are the key properties of 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide?
1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 1046.05 g/mol, XLogP of 8.00, 14 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;N-[4-[[5-ethyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 160782013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).