N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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

C35H30BrClF3N7O6 — CID 155285652

IUPACN-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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
SMILESC[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(OCC(N)=O)cc1-n1cccn1
InChIInChI=1S/C35H30BrClF3N7O6/c1-20(25-9-8-24(52-18-30(41)48)16-28(25)46-12-2-11-42-46)43-32(49)31-29-17-44(33(50)21-3-10-26(36)27(37)15-21)13-14-45(29)34(51)47(31)22-4-6-23(7-5-22)53-19-35(38,39)40/h2-12,15-16,20H,13-14,17-19H2,1H3,(H2,41,48)(H,43,49)/t20-/m1/s1
InChIKeyCLPOJJXOHDBWQX-HXUWFJFHSA-N
MW817.02 g/mol
LogP5.19
Rot. Bonds11

About N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 155285652) has the molecular formula C35H30BrClF3N7O6 and a molecular weight of 817.02 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 CID155285652
Molecular FormulaC35H30BrClF3N7O6
Molecular Weight817.02 g/mol
Exact Mass815.11
IUPAC NameN-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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
SMILESC[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(OCC(N)=O)cc1-n1cccn1
InChIInChI=1S/C35H30BrClF3N7O6/c1-20(25-9-8-24(52-18-30(41)48)16-28(25)46-12-2-11-42-46)43-32(49)31-29-17-44(33(50)21-3-10-26(36)27(37)15-21)13-14-45(29)34(51)47(31)22-4-6-23(7-5-22)53-19-35(38,39)40/h2-12,15-16,20H,13-14,17-19H2,1H3,(H2,41,48)(H,43,49)/t20-/m1/s1
InChIKeyCLPOJJXOHDBWQX-HXUWFJFHSA-N
XLogP5.19
TPSA155.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.02
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 155285652) is N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 C[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccc(OCC(N)=O)cc1-n1cccn1.
What is the InChIKey of N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 CLPOJJXOHDBWQX-HXUWFJFHSA-N. The full InChI is InChI=1S/C35H30BrClF3N7O6/c1-20(25-9-8-24(52-18-30(41)48)16-28(25)46-12-2-11-42-46)43-32(49)31-29-17-44(33(50)21-3-10-26(36)27(37)15-21)13-14-45(29)34(51)47(31)22-4-6-23(7-5-22)53-19-35(38,39)40/h2-12,15-16,20H,13-14,17-19H2,1H3,(H2,41,48)(H,43,49)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 817.02 g/mol, XLogP of 5.19, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-amino-2-oxoethoxy)-2-pyrazol-1-ylphenyl]ethyl]-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 155285652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).