N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol

C91H92N18O4 — CID 158388758

IUPACN-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol
SMILESCC(=O)NCC1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.CC(=O)NCCCCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(O)(CN4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H32N6O2.2C30H30N6O/c1-20(38)33-14-6-5-13-31(39)18-24(19-31)30-36-27(28-29(32)34-15-16-37(28)30)23-10-9-22-11-12-25(35-26(22)17-23)21-7-3-2-4-8-21;31-28-27-26(22-9-8-21-10-11-24(33-25(21)16-22)20-6-2-1-3-7-20)34-29(36(27)15-12-32-28)23-17-30(37,18-23)19-35-13-4-5-14-35;1-19(37)33-18-20-7-9-23(10-8-20)30-35-27(28-29(31)32-15-16-36(28)30)24-12-11-22-13-14-25(34-26(22)17-24)21-5-3-2-4-6-21/h2-4,7-12,15-17,24,39H,5-6,13-14,18-19H2,1H3,(H2,32,34)(H,33,38);1-3,6-12,15-16,23,37H,4-5,13-14,17-19H2,(H2,31,32);2-6,11-17,20,23H,7-10,18H2,1H3,(H2,31,32)(H,33,37)
InChIKeyGWRLKEKRFHJDBP-UHFFFAOYSA-N
MW1501.86 g/mol
LogP15.61
Rot. Bonds18

About N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol

N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol (PubChem CID 158388758) has the molecular formula C91H92N18O4 and a molecular weight of 1501.86 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol
PubChem CID158388758
Molecular FormulaC91H92N18O4
Molecular Weight1501.86 g/mol
Exact Mass1500.75
IUPAC NameN-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol
SMILESCC(=O)NCC1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.CC(=O)NCCCCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(O)(CN4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H32N6O2.2C30H30N6O/c1-20(38)33-14-6-5-13-31(39)18-24(19-31)30-36-27(28-29(32)34-15-16-37(28)30)23-10-9-22-11-12-25(35-26(22)17-23)21-7-3-2-4-8-21;31-28-27-26(22-9-8-21-10-11-24(33-25(21)16-22)20-6-2-1-3-7-20)34-29(36(27)15-12-32-28)23-17-30(37,18-23)19-35-13-4-5-14-35;1-19(37)33-18-20-7-9-23(10-8-20)30-35-27(28-29(31)32-15-16-36(28)30)24-12-11-22-13-14-25(34-26(22)17-24)21-5-3-2-4-6-21/h2-4,7-12,15-17,24,39H,5-6,13-14,18-19H2,1H3,(H2,32,34)(H,33,38);1-3,6-12,15-16,23,37H,4-5,13-14,17-19H2,(H2,31,32);2-6,11-17,20,23H,7-10,18H2,1H3,(H2,31,32)(H,33,37)
InChIKeyGWRLKEKRFHJDBP-UHFFFAOYSA-N
XLogP15.61
TPSA309.20 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001501.86
LogP ≤ 515.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol with MolForge

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Related Compounds

(3-aminocyclobutyl)-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;N-[4-(3-cyclobutyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[3-(methylamino)cyclobutyl]methanone;N-[5-fluoro-4-[2-methyl-3-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157736445
1-[4-[3-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-2,2,2-trifluoroethanone;1-(8-fluoro-4-methyl-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 157816966
1-(Cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 158062250
3-Cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-3-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 159610356
3-Cyclobutyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-3-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-pyridin-4-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160704456
N-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]ethyl]acetamide
CID 57680995
4-[[3-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide
CID 66826468
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[bis[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide
CID 89216315
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide
CID 90396990
1-[[3-[6-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-phenylquinoxalin-2-yl]pyrrolidin-1-yl]methyl]-3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
CID 130348730
[1-[3-[7-[8-Amino-3-[3-(1,3-thiazolidin-3-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]quinolin-2-yl]phenyl]-2-methylpropan-2-yl] 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate
CID 130348830
3-[3-[[3-[8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methoxymethyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 142757474

Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol?
The IUPAC name of N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol (CID 158388758) is N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol.
What is the SMILES notation for N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol?
The canonical SMILES for N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol is CC(=O)NCC1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.CC(=O)NCCCCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CC(O)(CN4CCCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol?
The InChIKey is GWRLKEKRFHJDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O2.2C30H30N6O/c1-20(38)33-14-6-5-13-31(39)18-24(19-31)30-36-27(28-29(32)34-15-16-37(28)30)23-10-9-22-11-12-25(35-26(22)17-23)21-7-3-2-4-8-21;31-28-27-26(22-9-8-21-10-11-24(33-25(21)16-22)20-6-2-1-3-7-20)34-29(36(27)15-12-32-28)23-17-30(37,18-23)19-35-13-4-5-14-35;1-19(37)33-18-20-7-9-23(10-8-20)30-35-27(28-29(31)32-15-16-36(28)30)24-12-11-22-13-14-25(34-26(22)17-24)21-5-3-2-4-6-21/h2-4,7-12,15-17,24,39H,5-6,13-14,18-19H2,1H3,(H2,32,34)(H,33,38);1-3,6-12,15-16,23,37H,4-5,13-14,17-19H2,(H2,31,32);2-6,11-17,20,23H,7-10,18H2,1H3,(H2,31,32)(H,33,37).
What are the key properties of N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol?
N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol has a molecular weight of 1501.86 g/mol, XLogP of 15.61, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]butyl]acetamide;3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(pyrrolidin-1-ylmethyl)cyclobutan-1-ol is sourced from PubChem (CID 158388758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).