1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C81H85Cl3N12O7 — CID 158502941

IUPAC1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(-c3ccc(OC)cc3)c3c(N)nccn23)cc(Cl)c(C)c1-c1ccc(OC)cc1.CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(C)c(C)c1-c1ccc(OC)cc1.CCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(C)c1-c1ccc(OC)cc1
InChIInChI=1S/C31H31ClN4O3.2C25H27ClN4O2/c1-6-39-29-24(17-25(32)19(3)26(29)20-7-11-22(37-4)12-8-20)18(2)31-35-27(21-9-13-23(38-5)14-10-21)28-30(33)34-15-16-36(28)31;2*1-6-32-22-19(16(4)25-29-23(26)21-24(27)28-11-12-30(21)25)13-14(2)15(3)20(22)17-7-9-18(31-5)10-8-17/h7-18H,6H2,1-5H3,(H2,33,34);2*7-13,16H,6H2,1-5H3,(H2,27,28)/t;16-;/m.0./s1
InChIKeyHKCSKGUBBUFGOY-OWGVEZNLSA-N
MW1445.01 g/mol
LogP18.79
Rot. Bonds20

About 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158502941) has the molecular formula C81H85Cl3N12O7 and a molecular weight of 1445.01 g/mol. Its IUPAC name is 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID158502941
Molecular FormulaC81H85Cl3N12O7
Molecular Weight1445.01 g/mol
Exact Mass1442.57
IUPAC Name1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1c(C(C)c2nc(-c3ccc(OC)cc3)c3c(N)nccn23)cc(Cl)c(C)c1-c1ccc(OC)cc1.CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(C)c(C)c1-c1ccc(OC)cc1.CCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(C)c1-c1ccc(OC)cc1
InChIInChI=1S/C31H31ClN4O3.2C25H27ClN4O2/c1-6-39-29-24(17-25(32)19(3)26(29)20-7-11-22(37-4)12-8-20)18(2)31-35-27(21-9-13-23(38-5)14-10-21)28-30(33)34-15-16-36(28)31;2*1-6-32-22-19(16(4)25-29-23(26)21-24(27)28-11-12-30(21)25)13-14(2)15(3)20(22)17-7-9-18(31-5)10-8-17/h7-18H,6H2,1-5H3,(H2,33,34);2*7-13,16H,6H2,1-5H3,(H2,27,28)/t;16-;/m.0./s1
InChIKeyHKCSKGUBBUFGOY-OWGVEZNLSA-N
XLogP18.79
TPSA233.24 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.01
LogP ≤ 518.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

US11420970, Example 185
CID 156073429
3-[5-[[4-[[4-[2-[2-[4-[[1-(3-Aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethoxy]-5-chlorophenyl]-2-chlorophenyl]methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indol-1-yl]propan-1-amine
CID 129201480
3-[8-Amino-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-1-yl]phenol
CID 134600572
1-Chloro-3-[1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600601
3-[1-[5-Chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 134600618
1-Bromo-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600639
8-Chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[5-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazine
CID 134600644
1-Bromo-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600676
1-Chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600878
8-Chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazine
CID 134600905
1-chloro-3-[(1S)-1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600927
1-chloro-3-[(1R)-1-[5-chloro-2-ethoxy-4-fluoro-3-[2-methoxy-6-(trifluoromethyl)pyridin-3-yl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600928

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 158502941) is 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is CCOc1c(C(C)c2nc(-c3ccc(OC)cc3)c3c(N)nccn23)cc(Cl)c(C)c1-c1ccc(OC)cc1.CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(C)c(C)c1-c1ccc(OC)cc1.CCOc1c([C@H](C)c2nc(Cl)c3c(N)nccn23)cc(C)c(C)c1-c1ccc(OC)cc1.
What is the InChIKey of 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is HKCSKGUBBUFGOY-OWGVEZNLSA-N. The full InChI is InChI=1S/C31H31ClN4O3.2C25H27ClN4O2/c1-6-39-29-24(17-25(32)19(3)26(29)20-7-11-22(37-4)12-8-20)18(2)31-35-27(21-9-13-23(38-5)14-10-21)28-30(33)34-15-16-36(28)31;2*1-6-32-22-19(16(4)25-29-23(26)21-24(27)28-11-12-30(21)25)13-14(2)15(3)20(22)17-7-9-18(31-5)10-8-17/h7-18H,6H2,1-5H3,(H2,33,34);2*7-13,16H,6H2,1-5H3,(H2,27,28)/t;16-;/m.0./s1.
What are the key properties of 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1445.01 g/mol, XLogP of 18.79, 20 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(1S)-1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[2-ethoxy-3-(4-methoxyphenyl)-4,5-dimethylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-3-(4-methoxyphenyl)-4-methylphenyl]ethyl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158502941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).