1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine

C24H35F2N7O3 — CID 163278050

IUPAC1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine
SMILESCCNC(C)c1cc(-c2nc(OCCOCCC(N)CCC(C)(F)F)c3nccn3n2)c(OC)cn1
InChIInChI=1S/C24H35F2N7O3/c1-5-28-16(2)19-14-18(20(34-4)15-30-19)21-31-23(22-29-9-10-33(22)32-21)36-13-12-35-11-7-17(27)6-8-24(3,25)26/h9-10,14-17,28H,5-8,11-13,27H2,1-4H3
InChIKeyUYDZIGFNWDHPHL-UHFFFAOYSA-N
MW507.59 g/mol
LogP3.41
Rot. Bonds15

About 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine

1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine (PubChem CID 163278050) has the molecular formula C24H35F2N7O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine.

Molecular Properties

Compound Name1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine
PubChem CID163278050
Molecular FormulaC24H35F2N7O3
Molecular Weight507.59 g/mol
Exact Mass507.28
IUPAC Name1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine
SMILESCCNC(C)c1cc(-c2nc(OCCOCCC(N)CCC(C)(F)F)c3nccn3n2)c(OC)cn1
InChIInChI=1S/C24H35F2N7O3/c1-5-28-16(2)19-14-18(20(34-4)15-30-19)21-31-23(22-29-9-10-33(22)32-21)36-13-12-35-11-7-17(27)6-8-24(3,25)26/h9-10,14-17,28H,5-8,11-13,27H2,1-4H3
InChIKeyUYDZIGFNWDHPHL-UHFFFAOYSA-N
XLogP3.41
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine with MolForge

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Related Compounds

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7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
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US10399985, Example 36
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US10399985, Example 41
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US10399985, Example 45
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(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-14,17-dioxa-5,8,10,19,20,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),20,22-heptaen-9-one
CID 163278998
(7R,11S)-11-(3,3-difluorobutyl)-8-ethyl-3-methoxy-7-methyl-14,17-dioxa-5,8,10,19,20,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),20,22-heptaen-9-one
CID 163279041
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
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Ly-2880070
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2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine?
The IUPAC name of 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine (CID 163278050) is 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine.
What is the SMILES notation for 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine?
The canonical SMILES for 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine is CCNC(C)c1cc(-c2nc(OCCOCCC(N)CCC(C)(F)F)c3nccn3n2)c(OC)cn1.
What is the InChIKey of 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine?
The InChIKey is UYDZIGFNWDHPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F2N7O3/c1-5-28-16(2)19-14-18(20(34-4)15-30-19)21-31-23(22-29-9-10-33(22)32-21)36-13-12-35-11-7-17(27)6-8-24(3,25)26/h9-10,14-17,28H,5-8,11-13,27H2,1-4H3.
What are the key properties of 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine?
1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine has a molecular weight of 507.59 g/mol, XLogP of 3.41, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[1-(ethylamino)ethyl]-5-methoxy-4-pyridinyl]imidazo[2,1-f][1,2,4]triazin-4-yl]oxyethoxy]-6,6-difluoroheptan-3-amine is sourced from PubChem (CID 163278050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).