6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine

C19H17BrFN5 — CID 139399683

IUPAC6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESC=C(C)c1cnc2c(NCCc3c[nH]c4ccc(F)cc34)nc(Br)cn12
InChIInChI=1S/C19H17BrFN5/c1-11(2)16-9-24-19-18(25-17(20)10-26(16)19)22-6-5-12-8-23-15-4-3-13(21)7-14(12)15/h3-4,7-10,23H,1,5-6H2,2H3,(H,22,25)
InChIKeyFSMLJECDHMPLIO-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.80
Rot. Bonds5

About 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 139399683) has the molecular formula C19H17BrFN5 and a molecular weight of 414.28 g/mol. Its IUPAC name is 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine
PubChem CID139399683
Molecular FormulaC19H17BrFN5
Molecular Weight414.28 g/mol
Exact Mass413.07
IUPAC Name6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESC=C(C)c1cnc2c(NCCc3c[nH]c4ccc(F)cc34)nc(Br)cn12
InChIInChI=1S/C19H17BrFN5/c1-11(2)16-9-24-19-18(25-17(20)10-26(16)19)22-6-5-12-8-23-15-4-3-13(21)7-14(12)15/h3-4,7-10,23H,1,5-6H2,2H3,(H,22,25)
InChIKeyFSMLJECDHMPLIO-UHFFFAOYSA-N
XLogP4.80
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-(4-ethoxybut-1-en-2-yl)-N-[2-(1H-indol-3-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine
CID 140928931
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
CID 166157928
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
1-tert-butyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111547136
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 139399670
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
3-butan-2-yl-N-[2-(1H-indol-3-yl)ethyl]-6-(5-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 157237040
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 19624897
2-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 139972357

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine (CID 139399683) is 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine is C=C(C)c1cnc2c(NCCc3c[nH]c4ccc(F)cc34)nc(Br)cn12.
What is the InChIKey of 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FSMLJECDHMPLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN5/c1-11(2)16-9-24-19-18(25-17(20)10-26(16)19)22-6-5-12-8-23-15-4-3-13(21)7-14(12)15/h3-4,7-10,23H,1,5-6H2,2H3,(H,22,25).
What are the key properties of 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 414.28 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 139399683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).