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

C23H24FN7O2 — CID 126484406

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(OCCN4CCCC4)ccn3n2)n1
InChIInChI=1S/C23H24FN7O2/c1-32-20-6-4-5-18(26-20)22-28-23(27-17-7-9-25-15-16(17)24)21-19(8-12-31(21)29-22)33-14-13-30-10-2-3-11-30/h4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,25,27,28,29)
InChIKeyMOUYEKRJGJOBSI-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.55
Rot. Bonds8

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

N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484406) 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-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484406
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(OCCN4CCCC4)ccn3n2)n1
InChIInChI=1S/C23H24FN7O2/c1-32-20-6-4-5-18(26-20)22-28-23(27-17-7-9-25-15-16(17)24)21-19(8-12-31(21)29-22)33-14-13-30-10-2-3-11-30/h4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,25,27,28,29)
InChIKeyMOUYEKRJGJOBSI-UHFFFAOYSA-N
XLogP3.55
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
AZ-Tak1
CID 71543324
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 45487870
5-[2-(dimethylamino)ethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 72202696
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
(2R)-2-[6-fluoro-5-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]imidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 25094902
(2R)-2-[5-[(3-ethoxy-1H-pyrazol-5-yl)amino]-6-fluoroimidazo[4,5-b]pyridin-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 25094903
(2R)-2-(5-Fluoropyridin-2-yl)-2-{[3-(5-isopropoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-yl]amino}ethanol
CID 25116186

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484406) is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)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-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3F)c3c(OCCN4CCCC4)ccn3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MOUYEKRJGJOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-32-20-6-4-5-18(26-20)22-28-23(27-17-7-9-25-15-16(17)24)21-19(8-12-31(21)29-22)33-14-13-30-10-2-3-11-30/h4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,25,27,28,29).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 449.49 g/mol, XLogP of 3.55, 8 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-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).