N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide

C23H23FN8O3 — CID 135271411

IUPACN-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3cc(NC(=O)CN4CCOCC4)cn3n2)n1
InChIInChI=1S/C23H23FN8O3/c1-34-21-4-2-3-18(27-21)22-29-23(28-17-5-6-25-12-16(17)24)19-11-15(13-32(19)30-22)26-20(33)14-31-7-9-35-10-8-31/h2-6,11-13H,7-10,14H2,1H3,(H,26,33)(H,25,28,29,30)
InChIKeyVGAAOJCRSFKNLA-UHFFFAOYSA-N
MW478.49 g/mol
LogP2.35
Rot. Bonds7

About N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide

N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide (PubChem CID 135271411) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide
PubChem CID135271411
Molecular FormulaC23H23FN8O3
Molecular Weight478.49 g/mol
Exact Mass478.19
IUPAC NameN-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3cc(NC(=O)CN4CCOCC4)cn3n2)n1
InChIInChI=1S/C23H23FN8O3/c1-34-21-4-2-3-18(27-21)22-29-23(28-17-5-6-25-12-16(17)24)19-11-15(13-32(19)30-22)26-20(33)14-31-7-9-35-10-8-31/h2-6,11-13H,7-10,14H2,1H3,(H,26,33)(H,25,28,29,30)
InChIKeyVGAAOJCRSFKNLA-UHFFFAOYSA-N
XLogP2.35
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide (CID 135271411) is N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide is COc1cccc(-c2nc(Nc3ccncc3F)c3cc(NC(=O)CN4CCOCC4)cn3n2)n1.
What is the InChIKey of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide?
The InChIKey is VGAAOJCRSFKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-34-21-4-2-3-18(27-21)22-29-23(28-17-5-6-25-12-16(17)24)19-11-15(13-32(19)30-22)26-20(33)14-31-7-9-35-10-8-31/h2-6,11-13H,7-10,14H2,1H3,(H,26,33)(H,25,28,29,30).
What are the key properties of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide?
N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide has a molecular weight of 478.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 135271411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).