N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

C66H69N23O6 — CID 161258486

IUPACN-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESC1COCCN1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCOCC4)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1.CCc1ccn2nc(-c3ccccn3)nc(Nc3ccnc(NC(C)=O)c3)c12
InChIInChI=1S/C23H24N8O2.C20H19N7O.C19H17N7O2.C4H9NO/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19;1-3-14-8-11-27-18(14)20(25-19(26-27)16-6-4-5-9-21-16)24-15-7-10-22-17(12-15)23-13(2)28;1-12(28)22-16-10-14(5-8-21-16)23-19-17-13(11-27)6-9-26(17)25-18(24-19)15-4-2-3-7-20-15;1-3-6-4-2-5-1/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32);4-12H,3H2,1-2H3,(H2,22,23,24,25,26,28);2-10,27H,11H2,1H3,(H2,21,22,23,24,25,28);5H,1-4H2
InChIKeyVCFZHKRMLNGCRD-UHFFFAOYSA-N
MW1280.43 g/mol
LogP8.16
Rot. Bonds16

About N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 161258486) has the molecular formula C66H69N23O6 and a molecular weight of 1280.43 g/mol. Its IUPAC name is N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID161258486
Molecular FormulaC66H69N23O6
Molecular Weight1280.43 g/mol
Exact Mass1279.58
IUPAC NameN-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESC1COCCN1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCOCC4)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1.CCc1ccn2nc(-c3ccccn3)nc(Nc3ccnc(NC(C)=O)c3)c12
InChIInChI=1S/C23H24N8O2.C20H19N7O.C19H17N7O2.C4H9NO/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19;1-3-14-8-11-27-18(14)20(25-19(26-27)16-6-4-5-9-21-16)24-15-7-10-22-17(12-15)23-13(2)28;1-12(28)22-16-10-14(5-8-21-16)23-19-17-13(11-27)6-9-26(17)25-18(24-19)15-4-2-3-7-20-15;1-3-6-4-2-5-1/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32);4-12H,3H2,1-2H3,(H2,22,23,24,25,26,28);2-10,27H,11H2,1H3,(H2,21,22,23,24,25,28);5H,1-4H2
InChIKeyVCFZHKRMLNGCRD-UHFFFAOYSA-N
XLogP8.16
TPSA345.26 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001280.43
LogP ≤ 58.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 161258486) is N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is C1COCCN1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCOCC4)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1.CCc1ccn2nc(-c3ccccn3)nc(Nc3ccnc(NC(C)=O)c3)c12.
What is the InChIKey of N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is VCFZHKRMLNGCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2.C20H19N7O.C19H17N7O2.C4H9NO/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19;1-3-14-8-11-27-18(14)20(25-19(26-27)16-6-4-5-9-21-16)24-15-7-10-22-17(12-15)23-13(2)28;1-12(28)22-16-10-14(5-8-21-16)23-19-17-13(11-27)6-9-26(17)25-18(24-19)15-4-2-3-7-20-15;1-3-6-4-2-5-1/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32);4-12H,3H2,1-2H3,(H2,22,23,24,25,26,28);2-10,27H,11H2,1H3,(H2,21,22,23,24,25,28);5H,1-4H2.
What are the key properties of N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 1280.43 g/mol, XLogP of 8.16, 16 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 161258486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).