N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C34H28BrClF3N7O6 — CID 155285480

IUPACN-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESNC(=O)COc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(-n2cccn2)c1
InChIInChI=1S/C34H28BrClF3N7O6/c35-25-9-3-20(14-26(25)36)32(49)43-12-13-44-28(17-43)30(46(33(44)50)22-4-7-23(8-5-22)52-19-34(37,38)39)31(48)41-16-21-2-6-24(51-18-29(40)47)15-27(21)45-11-1-10-42-45/h1-11,14-15H,12-13,16-19H2,(H2,40,47)(H,41,48)
InChIKeyYZIUGCYUXGUEDY-UHFFFAOYSA-N
MW802.99 g/mol
LogP4.63
Rot. Bonds11

About N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285480) has the molecular formula C34H28BrClF3N7O6 and a molecular weight of 802.99 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285480
Molecular FormulaC34H28BrClF3N7O6
Molecular Weight802.99 g/mol
Exact Mass801.09
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESNC(=O)COc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(-n2cccn2)c1
InChIInChI=1S/C34H28BrClF3N7O6/c35-25-9-3-20(14-26(25)36)32(49)43-12-13-44-28(17-43)30(46(33(44)50)22-4-7-23(8-5-22)52-19-34(37,38)39)31(48)41-16-21-2-6-24(51-18-29(40)47)15-27(21)45-11-1-10-42-45/h1-11,14-15H,12-13,16-19H2,(H2,40,47)(H,41,48)
InChIKeyYZIUGCYUXGUEDY-UHFFFAOYSA-N
XLogP4.63
TPSA155.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500802.99
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285480) is N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is NC(=O)COc1ccc(CNC(=O)c2c3n(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)c(-n2cccn2)c1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is YZIUGCYUXGUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28BrClF3N7O6/c35-25-9-3-20(14-26(25)36)32(49)43-12-13-44-28(17-43)30(46(33(44)50)22-4-7-23(8-5-22)52-19-34(37,38)39)31(48)41-16-21-2-6-24(51-18-29(40)47)15-27(21)45-11-1-10-42-45/h1-11,14-15H,12-13,16-19H2,(H2,40,47)(H,41,48).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 802.99 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).