3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide

C107H98N22O4 — CID 157128789

IUPAC3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.CCNC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H31N7O.2C26H23N5O.C25H21N5O/c1-2-32-30(38)36-15-12-20(13-16-36)18-26-35-27(28-29(31)33-14-17-37(26)28)23-9-8-22-10-11-24(34-25(22)19-23)21-6-4-3-5-7-21;2*1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16;26-24-23-22(29-25(18-12-19(31)13-18)30(23)11-10-27-24)17-7-6-16-8-9-20(28-21(16)14-17)15-4-2-1-3-5-15/h3-11,14,17,19-20H,2,12-13,15-16,18H2,1H3,(H2,31,33)(H,32,38);2*2-13,19,32H,14-15H2,1H3,(H2,27,28);1-11,14,18-19,31H,12-13H2,(H2,26,27)
InChIKeyAIUSJAFNXJRENH-UHFFFAOYSA-N
MW1756.11 g/mol
LogP19.25
Rot. Bonds14

About 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 157128789) has the molecular formula C107H98N22O4 and a molecular weight of 1756.11 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
PubChem CID157128789
Molecular FormulaC107H98N22O4
Molecular Weight1756.11 g/mol
Exact Mass1754.81
IUPAC Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.CCNC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H31N7O.2C26H23N5O.C25H21N5O/c1-2-32-30(38)36-15-12-20(13-16-36)18-26-35-27(28-29(31)33-14-17-37(26)28)23-9-8-22-10-11-24(34-25(22)19-23)21-6-4-3-5-7-21;2*1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16;26-24-23-22(29-25(18-12-19(31)13-18)30(23)11-10-27-24)17-7-6-16-8-9-20(28-21(16)14-17)15-4-2-1-3-5-15/h3-11,14,17,19-20H,2,12-13,15-16,18H2,1H3,(H2,31,33)(H,32,38);2*2-13,19,32H,14-15H2,1H3,(H2,27,28);1-11,14,18-19,31H,12-13H2,(H2,26,27)
InChIKeyAIUSJAFNXJRENH-UHFFFAOYSA-N
XLogP19.25
TPSA369.43 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.11
LogP ≤ 519.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide 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
3-Cyclobutyl-1-(3-phenylquinoxalin-6-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-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 158861191
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
Bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-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 159760696
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-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;3-[6-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-4-fluoro-2-methylbenzimidazol-1-yl]cyclobutan-1-ol;3-[6-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-4-fluoro-2-methylbenzimidazol-1-yl]cyclobutan-1-one;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(3-fluorocyclobutyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 161053673
3-[2-[Benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 161497903
sodium;methane;3-(methylamino)-3-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-ol;2,2,2-trifluoro-N-[3-hydroxy-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]acetamide;2,2,2-trifluoro-N-[3-hydroxy-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]-N-methylacetamide;hydroxide
CID 161821495
N-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;3-[6-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-4-fluoro-2-methylbenzimidazol-1-yl]cyclobutan-1-ol;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(3-fluorocyclobutyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-3-(3-fluorocyclobutyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 161838903
3-[8-Amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
CID 24861293
Tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate
CID 57680883

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide (CID 157128789) is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide is CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.CCNC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is AIUSJAFNXJRENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O.2C26H23N5O.C25H21N5O/c1-2-32-30(38)36-15-12-20(13-16-36)18-26-35-27(28-29(31)33-14-17-37(26)28)23-9-8-22-10-11-24(34-25(22)19-23)21-6-4-3-5-7-21;2*1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16;26-24-23-22(29-25(18-12-19(31)13-18)30(23)11-10-27-24)17-7-6-16-8-9-20(28-21(16)14-17)15-4-2-1-3-5-15/h3-11,14,17,19-20H,2,12-13,15-16,18H2,1H3,(H2,31,33)(H,32,38);2*2-13,19,32H,14-15H2,1H3,(H2,27,28);1-11,14,18-19,31H,12-13H2,(H2,26,27).
What are the key properties of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide?
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 1756.11 g/mol, XLogP of 19.25, 14 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol);4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 157128789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).