N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C23H24FN7O2 — CID 126484420

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CCN4CCOCC4)ccn3n2)n1
InChIInChI=1S/C23H24FN7O2/c1-32-20-4-2-3-19(26-20)22-28-23(27-18-5-8-25-15-17(18)24)21-16(7-10-31(21)29-22)6-9-30-11-13-33-14-12-30/h2-5,7-8,10,15H,6,9,11-14H2,1H3,(H,25,27,28,29)
InChIKeyBMZFOJDEDJGIOE-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.95
Rot. Bonds7

About N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484420) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484420
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CCN4CCOCC4)ccn3n2)n1
InChIInChI=1S/C23H24FN7O2/c1-32-20-4-2-3-19(26-20)22-28-23(27-18-5-8-25-15-17(18)24)21-16(7-10-31(21)29-22)6-9-30-11-13-33-14-12-30/h2-5,7-8,10,15H,6,9,11-14H2,1H3,(H,25,27,28,29)
InChIKeyBMZFOJDEDJGIOE-UHFFFAOYSA-N
XLogP2.95
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484420) is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3F)c3c(CCN4CCOCC4)ccn3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BMZFOJDEDJGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-32-20-4-2-3-19(26-20)22-28-23(27-18-5-8-25-15-17(18)24)21-16(7-10-31(21)29-22)6-9-30-11-13-33-14-12-30/h2-5,7-8,10,15H,6,9,11-14H2,1H3,(H,25,27,28,29).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 449.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).