N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide

C82H88N18O7 — CID 158557843

IUPACN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.COc1ccc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c(OC)c1.Nc1nccn2c(C3CCC(CNC=O)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/2C30H32N6O3.C22H24N6O/c1-38-22-13-21(14-23(16-22)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-11-12-36(27)29)25-15-20-5-3-4-6-24(20)34-25;1-38-21-11-12-22(25(16-21)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-13-14-36(27)29)24-15-20-5-3-4-6-23(20)34-24;23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h2*3-6,11-16,18-19,34H,7-10,17H2,1-2H3,(H2,31,32)(H,33,37);1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29)
InChIKeyHQMVUPBKMAHILF-UHFFFAOYSA-N
MW1437.72 g/mol
LogP13.84
Rot. Bonds19

About N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide (PubChem CID 158557843) has the molecular formula C82H88N18O7 and a molecular weight of 1437.72 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide
PubChem CID158557843
Molecular FormulaC82H88N18O7
Molecular Weight1437.72 g/mol
Exact Mass1436.71
IUPAC NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.COc1ccc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c(OC)c1.Nc1nccn2c(C3CCC(CNC=O)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/2C30H32N6O3.C22H24N6O/c1-38-22-13-21(14-23(16-22)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-11-12-36(27)29)25-15-20-5-3-4-6-24(20)34-25;1-38-21-11-12-22(25(16-21)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-13-14-36(27)29)24-15-20-5-3-4-6-23(20)34-24;23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h2*3-6,11-16,18-19,34H,7-10,17H2,1-2H3,(H2,31,32)(H,33,37);1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29)
InChIKeyHQMVUPBKMAHILF-UHFFFAOYSA-N
XLogP13.84
TPSA340.22 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001437.72
LogP ≤ 513.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide with MolForge

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Related Compounds

4-(8-((2,4-dimethoxybenzyl)amino)-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-(2-methoxyethoxy)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 86727902
4-[3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]-3-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90283707
4-[3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-8-[N-[(2,4-dimethoxyphenyl)methyl]anilino]imidazo[1,5-a]pyrazin-1-yl]-3-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90304323
4-[3-[(6R,8aS)-6-methyl-3-oxo-1,2,5,7,8,8a-hexahydroindolizin-6-yl]-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 121455028
4-(8-((2,4-dimethoxybenzyl)amino)-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-hydroxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 136341357
Methyl 1-[8-[(2,4-dimethoxyphenyl)methylamino]-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylate
CID 163207734
N-[[4-[3-cyclohexyl-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 163854096
Methyl 4-[8-[(2,4-dimethoxyphenyl)methylamino]-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 168817883
N-[[4-[3-[4-(aminomethyl)cyclohexyl]-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 168817919
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 173072905
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 173110980
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide
CID 16678154

Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide?
The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide (CID 158557843) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide is COc1cc(OC)cc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.COc1ccc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c(OC)c1.Nc1nccn2c(C3CCC(CNC=O)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide?
The InChIKey is HQMVUPBKMAHILF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32N6O3.C22H24N6O/c1-38-22-13-21(14-23(16-22)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-11-12-36(27)29)25-15-20-5-3-4-6-24(20)34-25;1-38-21-11-12-22(25(16-21)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-13-14-36(27)29)24-15-20-5-3-4-6-23(20)34-24;23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h2*3-6,11-16,18-19,34H,7-10,17H2,1-2H3,(H2,31,32)(H,33,37);1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29).
What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide?
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide has a molecular weight of 1437.72 g/mol, XLogP of 13.84, 19 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,4-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide is sourced from PubChem (CID 158557843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).