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

C18H15F8N5O2 — CID 166629469

IUPAC7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-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)c1nc(C(F)(F)F)n2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C18H15F8N5O2/c1-8(17(21,22)23)27-14(32)13-12-7-30(4-5-31(12)15(29-13)18(24,25)26)16(33)28-9-2-3-10(19)11(20)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,27,32)(H,28,33)/t8-/m1/s1
InChIKeyWXRPVTUQVGIMAZ-MRVPVSSYSA-N
MW485.34 g/mol
LogP3.91
Rot. Bonds3

About 7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-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-difluorophenyl)-3-(trifluoromethyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 166629469) has the molecular formula C18H15F8N5O2 and a molecular weight of 485.34 g/mol. Its IUPAC name is 7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-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-difluorophenyl)-3-(trifluoromethyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID166629469
Molecular FormulaC18H15F8N5O2
Molecular Weight485.34 g/mol
Exact Mass485.11
IUPAC Name7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-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)c1nc(C(F)(F)F)n2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C18H15F8N5O2/c1-8(17(21,22)23)27-14(32)13-12-7-30(4-5-31(12)15(29-13)18(24,25)26)16(33)28-9-2-3-10(19)11(20)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,27,32)(H,28,33)/t8-/m1/s1
InChIKeyWXRPVTUQVGIMAZ-MRVPVSSYSA-N
XLogP3.91
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-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-difluorophenyl)-3-(trifluoromethyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 166629469) is 7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-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-difluorophenyl)-3-(trifluoromethyl)-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-difluorophenyl)-3-(trifluoromethyl)-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)c1nc(C(F)(F)F)n2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.
What is the InChIKey of 7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is WXRPVTUQVGIMAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C18H15F8N5O2/c1-8(17(21,22)23)27-14(32)13-12-7-30(4-5-31(12)15(29-13)18(24,25)26)16(33)28-9-2-3-10(19)11(20)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,27,32)(H,28,33)/t8-/m1/s1.
What are the key properties of 7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-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-difluorophenyl)-3-(trifluoromethyl)-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 485.34 g/mol, XLogP of 3.91, 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-difluorophenyl)-3-(trifluoromethyl)-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 166629469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).