4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane

C27H38N10O3 — CID 169237841

IUPAC4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane
SMILESCOC1CCCC1.Cn1ccc(-c2cn3nc(-c4nccn4C)nc(N)c3c2C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C21H26N10O2.C6H12O/c1-28-7-4-23-20(28)19-25-18(22)17-16(21(32)24-5-8-30-9-11-33-12-10-30)14(13-31(17)27-19)15-3-6-29(2)26-15;1-7-6-4-2-3-5-6/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,24,32)(H2,22,25,27);6H,2-5H2,1H3
InChIKeyLGPPDTWAUCARAY-UHFFFAOYSA-N
MW550.67 g/mol
LogP1.75
Rot. Bonds7

About 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane

4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane (PubChem CID 169237841) has the molecular formula C27H38N10O3 and a molecular weight of 550.67 g/mol. Its IUPAC name is 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane.

Molecular Properties

Compound Name4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane
PubChem CID169237841
Molecular FormulaC27H38N10O3
Molecular Weight550.67 g/mol
Exact Mass550.31
IUPAC Name4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane
SMILESCOC1CCCC1.Cn1ccc(-c2cn3nc(-c4nccn4C)nc(N)c3c2C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C21H26N10O2.C6H12O/c1-28-7-4-23-20(28)19-25-18(22)17-16(21(32)24-5-8-30-9-11-33-12-10-30)14(13-31(17)27-19)15-3-6-29(2)26-15;1-7-6-4-2-3-5-6/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,24,32)(H2,22,25,27);6H,2-5H2,1H3
InChIKeyLGPPDTWAUCARAY-UHFFFAOYSA-N
XLogP1.75
TPSA142.65 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane with MolForge

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Related Compounds

1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
N-methyl-4-(1-methylimidazol-2-yl)-N-(4-morpholin-4-ylbutyl)benzamide
CID 119068731
4-(cycloheptylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207488
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane?
The IUPAC name of 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane (CID 169237841) is 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane.
What is the SMILES notation for 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane?
The canonical SMILES for 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane is COC1CCCC1.Cn1ccc(-c2cn3nc(-c4nccn4C)nc(N)c3c2C(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane?
The InChIKey is LGPPDTWAUCARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N10O2.C6H12O/c1-28-7-4-23-20(28)19-25-18(22)17-16(21(32)24-5-8-30-9-11-33-12-10-30)14(13-31(17)27-19)15-3-6-29(2)26-15;1-7-6-4-2-3-5-6/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,24,32)(H2,22,25,27);6H,2-5H2,1H3.
What are the key properties of 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane?
4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane has a molecular weight of 550.67 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide;methoxycyclopentane is sourced from PubChem (CID 169237841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).