[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine

C98H100N16O4S — CID 159932256

IUPAC[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cc(-c2ccccc2)nc2cc(-c3nc(C4CCC(CN5CCCC5)CC4)n4ccnc(N)c34)ccc12.Cc1cc(-c2ccccc2)nc2cc(-c3nc(C4CCC(CO)CC4)n4ccnc(N)c34)ccc12.Cc1ccc(S(=O)(=O)OCC2CCC(c3nc(-c4ccc5c(C)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)CC2)cc1
InChIInChI=1S/C36H35N5O3S.C33H36N6.C29H29N5O/c1-23-8-15-29(16-9-23)45(42,43)44-22-25-10-12-27(13-11-25)36-40-33(34-35(37)38-18-19-41(34)36)28-14-17-30-24(2)20-31(39-32(30)21-28)26-6-4-3-5-7-26;1-22-19-28(24-7-3-2-4-8-24)36-29-20-26(13-14-27(22)29)30-31-32(34)35-15-18-39(31)33(37-30)25-11-9-23(10-12-25)21-38-16-5-6-17-38;1-18-15-24(20-5-3-2-4-6-20)32-25-16-22(11-12-23(18)25)26-27-28(30)31-13-14-34(27)29(33-26)21-9-7-19(17-35)8-10-21/h3-9,14-21,25,27H,10-13,22H2,1-2H3,(H2,37,38);2-4,7-8,13-15,18-20,23,25H,5-6,9-12,16-17,21H2,1H3,(H2,34,35);2-6,11-16,19,21,35H,7-10,17H2,1H3,(H2,30,31)
InChIKeyNZUFCIVGDDWVPH-UHFFFAOYSA-N
MW1598.05 g/mol
LogP20.13
Rot. Bonds16

About [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine

[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159932256) has the molecular formula C98H100N16O4S and a molecular weight of 1598.05 g/mol. Its IUPAC name is [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID159932256
Molecular FormulaC98H100N16O4S
Molecular Weight1598.05 g/mol
Exact Mass1596.78
IUPAC Name[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cc(-c2ccccc2)nc2cc(-c3nc(C4CCC(CN5CCCC5)CC4)n4ccnc(N)c34)ccc12.Cc1cc(-c2ccccc2)nc2cc(-c3nc(C4CCC(CO)CC4)n4ccnc(N)c34)ccc12.Cc1ccc(S(=O)(=O)OCC2CCC(c3nc(-c4ccc5c(C)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)CC2)cc1
InChIInChI=1S/C36H35N5O3S.C33H36N6.C29H29N5O/c1-23-8-15-29(16-9-23)45(42,43)44-22-25-10-12-27(13-11-25)36-40-33(34-35(37)38-18-19-41(34)36)28-14-17-30-24(2)20-31(39-32(30)21-28)26-6-4-3-5-7-26;1-22-19-28(24-7-3-2-4-8-24)36-29-20-26(13-14-27(22)29)30-31-32(34)35-15-18-39(31)33(37-30)25-11-9-23(10-12-25)21-38-16-5-6-17-38;1-18-15-24(20-5-3-2-4-6-20)32-25-16-22(11-12-23(18)25)26-27-28(30)31-13-14-34(27)29(33-26)21-9-7-19(17-35)8-10-21/h3-9,14-21,25,27H,10-13,22H2,1-2H3,(H2,37,38);2-4,7-8,13-15,18-20,23,25H,5-6,9-12,16-17,21H2,1H3,(H2,34,35);2-6,11-16,19,21,35H,7-10,17H2,1H3,(H2,30,31)
InChIKeyNZUFCIVGDDWVPH-UHFFFAOYSA-N
XLogP20.13
TPSA274.14 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.05
LogP ≤ 520.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

[4-[8-amino-1-[3-(hydroxymethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate
CID 59852741
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylquinolin-7-yl]-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
CID 130348839
3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
CID 68898257
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
1-(4-methoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763143
3-(3-morpholin-4-ylcyclobutyl)-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71763839
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357
3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;1-[4-[3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;1-[4-[3-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 158563657

Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (CID 159932256) is [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is Cc1cc(-c2ccccc2)nc2cc(-c3nc(C4CCC(CN5CCCC5)CC4)n4ccnc(N)c34)ccc12.Cc1cc(-c2ccccc2)nc2cc(-c3nc(C4CCC(CO)CC4)n4ccnc(N)c34)ccc12.Cc1ccc(S(=O)(=O)OCC2CCC(c3nc(-c4ccc5c(C)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)CC2)cc1.
What is the InChIKey of [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is NZUFCIVGDDWVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N5O3S.C33H36N6.C29H29N5O/c1-23-8-15-29(16-9-23)45(42,43)44-22-25-10-12-27(13-11-25)36-40-33(34-35(37)38-18-19-41(34)36)28-14-17-30-24(2)20-31(39-32(30)21-28)26-6-4-3-5-7-26;1-22-19-28(24-7-3-2-4-8-24)36-29-20-26(13-14-27(22)29)30-31-32(34)35-15-18-39(31)33(37-30)25-11-9-23(10-12-25)21-38-16-5-6-17-38;1-18-15-24(20-5-3-2-4-6-20)32-25-16-22(11-12-23(18)25)26-27-28(30)31-13-14-34(27)29(33-26)21-9-7-19(17-35)8-10-21/h3-9,14-21,25,27H,10-13,22H2,1-2H3,(H2,37,38);2-4,7-8,13-15,18-20,23,25H,5-6,9-12,16-17,21H2,1H3,(H2,34,35);2-6,11-16,19,21,35H,7-10,17H2,1H3,(H2,30,31).
What are the key properties of [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1598.05 g/mol, XLogP of 20.13, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159932256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).