7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide

C17H15F6N5O2 — CID 137452724

IUPAC7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESC[C@@H](NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C17H15F6N5O2/c1-8(17(21,22)23)25-15(29)14-12-6-27(2-3-28(12)7-24-14)16(30)26-9-4-10(18)13(20)11(19)5-9/h4-5,7-8H,2-3,6H2,1H3,(H,25,29)(H,26,30)/t8-/m1/s1
InChIKeyGURDIWVEOBLMLO-MRVPVSSYSA-N
MW435.33 g/mol
LogP3.03
Rot. Bonds3

About 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide

7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 137452724) has the molecular formula C17H15F6N5O2 and a molecular weight of 435.33 g/mol. Its IUPAC name is 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID137452724
Molecular FormulaC17H15F6N5O2
Molecular Weight435.33 g/mol
Exact Mass435.11
IUPAC Name7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESC[C@@H](NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C17H15F6N5O2/c1-8(17(21,22)23)25-15(29)14-12-6-27(2-3-28(12)7-24-14)16(30)26-9-4-10(18)13(20)11(19)5-9/h4-5,7-8H,2-3,6H2,1H3,(H,25,29)(H,26,30)/t8-/m1/s1
InChIKeyGURDIWVEOBLMLO-MRVPVSSYSA-N
XLogP3.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The IUPAC name of 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 137452724) is 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The canonical SMILES for 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is C[C@@H](NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.
What is the InChIKey of 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is GURDIWVEOBLMLO-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H15F6N5O2/c1-8(17(21,22)23)25-15(29)14-12-6-27(2-3-28(12)7-24-14)16(30)26-9-4-10(18)13(20)11(19)5-9/h4-5,7-8H,2-3,6H2,1H3,(H,25,29)(H,26,30)/t8-/m1/s1.
What are the key properties of 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide has a molecular weight of 435.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,4,5-trifluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 137452724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).