N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

C23H19Cl2F3N4O4 — CID 46181997

IUPACN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H19Cl2F3N4O4/c24-15-8-13(36-23(26,27)28)9-16(25)19(15)29-21(34)30-6-7-31-18(11-30)20(33)32(22(31)35)17-10-14(17)12-4-2-1-3-5-12/h1-5,8-9,14,17-18H,6-7,10-11H2,(H,29,34)/t14-,17+,18?/m0/s1
InChIKeyPBPLNIMPZZXVKJ-ZGRMHCKUSA-N
MW543.33 g/mol
LogP4.93
Rot. Bonds4

About N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 46181997) has the molecular formula C23H19Cl2F3N4O4 and a molecular weight of 543.33 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID46181997
Molecular FormulaC23H19Cl2F3N4O4
Molecular Weight543.33 g/mol
Exact Mass542.07
IUPAC NameN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H19Cl2F3N4O4/c24-15-8-13(36-23(26,27)28)9-16(25)19(15)29-21(34)30-6-7-31-18(11-30)20(33)32(22(31)35)17-10-14(17)12-4-2-1-3-5-12/h1-5,8-9,14,17-18H,6-7,10-11H2,(H,29,34)/t14-,17+,18?/m0/s1
InChIKeyPBPLNIMPZZXVKJ-ZGRMHCKUSA-N
XLogP4.93
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 46181997) is N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)C2C1.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is PBPLNIMPZZXVKJ-ZGRMHCKUSA-N. The full InChI is InChI=1S/C23H19Cl2F3N4O4/c24-15-8-13(36-23(26,27)28)9-16(25)19(15)29-21(34)30-6-7-31-18(11-30)20(33)32(22(31)35)17-10-14(17)12-4-2-1-3-5-12/h1-5,8-9,14,17-18H,6-7,10-11H2,(H,29,34)/t14-,17+,18?/m0/s1.
What are the key properties of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 543.33 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 46181997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).