N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid

C37H42F3N7O4 — CID 53345197

IUPACN-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(-c2nc(C3CCC(N4CCN(C)CC4)CC3)n3ccnc(C)c23)ccc1NC(=O)c1cc2ccccc2n1C.O=C(O)C(F)(F)F
InChIInChI=1S/C35H41N7O2.C2HF3O2/c1-23-33-32(38-34(42(33)16-15-36-23)24-9-12-27(13-10-24)41-19-17-39(2)18-20-41)26-11-14-28(31(22-26)44-4)37-35(43)30-21-25-7-5-6-8-29(25)40(30)3;3-2(4,5)1(6)7/h5-8,11,14-16,21-22,24,27H,9-10,12-13,17-20H2,1-4H3,(H,37,43);(H,6,7)
InChIKeyGXTZMSVMDHBYEE-UHFFFAOYSA-N
MW705.78 g/mol
LogP6.36
Rot. Bonds6

About N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid

N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 53345197) has the molecular formula C37H42F3N7O4 and a molecular weight of 705.78 g/mol. Its IUPAC name is N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID53345197
Molecular FormulaC37H42F3N7O4
Molecular Weight705.78 g/mol
Exact Mass705.33
IUPAC NameN-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(-c2nc(C3CCC(N4CCN(C)CC4)CC3)n3ccnc(C)c23)ccc1NC(=O)c1cc2ccccc2n1C.O=C(O)C(F)(F)F
InChIInChI=1S/C35H41N7O2.C2HF3O2/c1-23-33-32(38-34(42(33)16-15-36-23)24-9-12-27(13-10-24)41-19-17-39(2)18-20-41)26-11-14-28(31(22-26)44-4)37-35(43)30-21-25-7-5-6-8-29(25)40(30)3;3-2(4,5)1(6)7/h5-8,11,14-16,21-22,24,27H,9-10,12-13,17-20H2,1-4H3,(H,37,43);(H,6,7)
InChIKeyGXTZMSVMDHBYEE-UHFFFAOYSA-N
XLogP6.36
TPSA117.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.78
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 53345197) is N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(-c2nc(C3CCC(N4CCN(C)CC4)CC3)n3ccnc(C)c23)ccc1NC(=O)c1cc2ccccc2n1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GXTZMSVMDHBYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O2.C2HF3O2/c1-23-33-32(38-34(42(33)16-15-36-23)24-9-12-27(13-10-24)41-19-17-39(2)18-20-41)26-11-14-28(31(22-26)44-4)37-35(43)30-21-25-7-5-6-8-29(25)40(30)3;3-2(4,5)1(6)7/h5-8,11,14-16,21-22,24,27H,9-10,12-13,17-20H2,1-4H3,(H,37,43);(H,6,7).
What are the key properties of N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 705.78 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53345197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).