1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C20H21N5 — CID 143469271

IUPAC1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESC#Cc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)[nH]c1/C(C)=C\C
InChIInChI=1S/C20H21N5/c1-4-12(3)16-13(5-2)11-15(23-16)17-18-19(21)22-9-10-25(18)20(24-17)14-7-6-8-14/h2,4,9-11,14,23H,6-8H2,1,3H3,(H2,21,22)/b12-4-
InChIKeyVDUWAKIVTQVHRZ-QCDXTXTGSA-N
MW331.42 g/mol
LogP3.98
Rot. Bonds3

About 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 143469271) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID143469271
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESC#Cc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)[nH]c1/C(C)=C\C
InChIInChI=1S/C20H21N5/c1-4-12(3)16-13(5-2)11-15(23-16)17-18-19(21)22-9-10-25(18)20(24-17)14-7-6-8-14/h2,4,9-11,14,23H,6-8H2,1,3H3,(H2,21,22)/b12-4-
InChIKeyVDUWAKIVTQVHRZ-QCDXTXTGSA-N
XLogP3.98
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-1-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 66915521
1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane
CID 143469317
3-(4-methylcyclohexyl)-1-[5-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-2-yl]imidazo[1,5-a]pyrazin-8-amine
CID 143469204
1-(7-chloro-1H-indol-2-yl)-3-[4-[(ethylideneamino)methyl]cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
CID 90798674
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 16678248
4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59286100
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
N-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-N-methylformamide
CID 143744472
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-methylsulfonylethanone
CID 58423415
trans-(1S,3S)-3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide
CID 66737962
methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 59133016
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 143469271) is 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is C#Cc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)[nH]c1/C(C)=C\C.
What is the InChIKey of 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VDUWAKIVTQVHRZ-QCDXTXTGSA-N. The full InChI is InChI=1S/C20H21N5/c1-4-12(3)16-13(5-2)11-15(23-16)17-18-19(21)22-9-10-25(18)20(24-17)14-7-6-8-14/h2,4,9-11,14,23H,6-8H2,1,3H3,(H2,21,22)/b12-4-.
What are the key properties of 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 331.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143469271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).