5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile

C24H24N6O — CID 138715499

IUPAC5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile
SMILESCCC(C)c1cnc2c(NCCc3ccc(O)cc3)nc(-c3cncc(C#N)c3)cn12
InChIInChI=1S/C24H24N6O/c1-3-16(2)22-14-28-24-23(27-9-8-17-4-6-20(31)7-5-17)29-21(15-30(22)24)19-10-18(11-25)12-26-13-19/h4-7,10,12-16,31H,3,8-9H2,1-2H3,(H,27,29)
InChIKeyDOKWIDDFWIOBIR-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.54
Rot. Bonds7

About 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile

5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile (PubChem CID 138715499) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile
PubChem CID138715499
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile
SMILESCCC(C)c1cnc2c(NCCc3ccc(O)cc3)nc(-c3cncc(C#N)c3)cn12
InChIInChI=1S/C24H24N6O/c1-3-16(2)22-14-28-24-23(27-9-8-17-4-6-20(31)7-5-17)29-21(15-30(22)24)19-10-18(11-25)12-26-13-19/h4-7,10,12-16,31H,3,8-9H2,1-2H3,(H,27,29)
InChIKeyDOKWIDDFWIOBIR-UHFFFAOYSA-N
XLogP4.54
TPSA99.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile
CID 146522453
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
5-[6-[2-(4-methylphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyridine-3-carbonitrile
CID 123605332
3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 162493301
N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 139399670
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
N-[2-(4-methoxyphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 139399714
4-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 46215177
7-amino-5-[2-(4-hydroxyphenyl)ethylamino]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452775
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol
CID 59408942

Frequently Asked Questions

What is the IUPAC name of 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile (CID 138715499) is 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile is CCC(C)c1cnc2c(NCCc3ccc(O)cc3)nc(-c3cncc(C#N)c3)cn12.
What is the InChIKey of 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile?
The InChIKey is DOKWIDDFWIOBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-3-16(2)22-14-28-24-23(27-9-8-17-4-6-20(31)7-5-17)29-21(15-30(22)24)19-10-18(11-25)12-26-13-19/h4-7,10,12-16,31H,3,8-9H2,1-2H3,(H,27,29).
What are the key properties of 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile?
5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile has a molecular weight of 412.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-butan-2-yl-8-[2-(4-hydroxyphenyl)ethylamino]imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 138715499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).