3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine

C86H84N18O2 — CID 161402943

IUPAC3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(N4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C29H28N6O.C29H28N6.C28H28N6O/c30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34;30-28-27-26(21-9-8-20-10-11-24(32-25(20)18-21)19-6-2-1-3-7-19)33-29(35(27)15-12-31-28)22-16-23(17-22)34-13-4-5-14-34;1-35-14-12-30-22-15-21(16-22)28-33-25(26-27(29)31-11-13-34(26)28)20-8-7-19-9-10-23(32-24(19)17-20)18-5-3-2-4-6-18/h1-11,18,22-23H,12-17H2,(H2,30,31);1-3,6-12,15,18,22-23H,4-5,13-14,16-17H2,(H2,30,31);2-11,13,17,21-22,30H,12,14-16H2,1H3,(H2,29,31)
InChIKeyVULXFDQDZMFZIE-UHFFFAOYSA-N
MW1401.74 g/mol
LogP14.98
Rot. Bonds15

About 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine

3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 161402943) has the molecular formula C86H84N18O2 and a molecular weight of 1401.74 g/mol. Its IUPAC name is 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID161402943
Molecular FormulaC86H84N18O2
Molecular Weight1401.74 g/mol
Exact Mass1400.70
IUPAC Name3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(N4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C29H28N6O.C29H28N6.C28H28N6O/c30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34;30-28-27-26(21-9-8-20-10-11-24(32-25(20)18-21)19-6-2-1-3-7-19)33-29(35(27)15-12-31-28)22-16-23(17-22)34-13-4-5-14-34;1-35-14-12-30-22-15-21(16-22)28-33-25(26-27(29)31-11-13-34(26)28)20-8-7-19-9-10-23(32-24(19)17-20)18-5-3-2-4-6-18/h1-11,18,22-23H,12-17H2,(H2,30,31);1-3,6-12,15,18,22-23H,4-5,13-14,16-17H2,(H2,30,31);2-11,13,17,21-22,30H,12,14-16H2,1H3,(H2,29,31)
InChIKeyVULXFDQDZMFZIE-UHFFFAOYSA-N
XLogP14.98
TPSA244.27 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.74
LogP ≤ 514.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

3-[3-(Morpholin-4-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11670378
3-(3-Morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 44451459
(3S)-4-[8-(1H-indol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148793
(R)-N-(1-Morpholinopropan-2-yl)-6-(8-(pyridin-4-yl)-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 132587462
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 134146432
N-(1-morpholin-4-ylpropan-2-yl)-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)quinolin-2-amine
CID 134149230
(3R)-4-[8-(1H-indol-6-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148818
(3S)-4-[8-(1H-indol-6-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148841
4-[5-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 86345486
4-(5-(6-(Piperazin-1-yl)pyridin-3-yl)-2-(1-(quinolin-2-yl)azetidin-3-yl)imidazo[1,2-a]pyrazin-8-yl)morpholine
CID 86345606
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 86345809
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133251

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine (CID 161402943) is 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine is COCCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(N4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(N4CCOCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VULXFDQDZMFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O.C29H28N6.C28H28N6O/c30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34;30-28-27-26(21-9-8-20-10-11-24(32-25(20)18-21)19-6-2-1-3-7-19)33-29(35(27)15-12-31-28)22-16-23(17-22)34-13-4-5-14-34;1-35-14-12-30-22-15-21(16-22)28-33-25(26-27(29)31-11-13-34(26)28)20-8-7-19-9-10-23(32-24(19)17-20)18-5-3-2-4-6-18/h1-11,18,22-23H,12-17H2,(H2,30,31);1-3,6-12,15,18,22-23H,4-5,13-14,16-17H2,(H2,30,31);2-11,13,17,21-22,30H,12,14-16H2,1H3,(H2,29,31).
What are the key properties of 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1401.74 g/mol, XLogP of 14.98, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 161402943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).