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

C17H16F5N5O2 — CID 137452752

IUPAC7-N-(3,4-difluorophenyl)-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)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C17H16F5N5O2/c1-9(17(20,21)22)24-15(28)14-13-7-26(4-5-27(13)8-23-14)16(29)25-10-2-3-11(18)12(19)6-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,24,28)(H,25,29)/t9-/m1/s1
InChIKeyVOXBLTRHOVOBSG-SECBINFHSA-N
MW417.34 g/mol
LogP2.89
Rot. Bonds3

About 7-N-(3,4-difluorophenyl)-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)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 137452752) has the molecular formula C17H16F5N5O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 7-N-(3,4-difluorophenyl)-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)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID137452752
Molecular FormulaC17H16F5N5O2
Molecular Weight417.34 g/mol
Exact Mass417.12
IUPAC Name7-N-(3,4-difluorophenyl)-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)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C17H16F5N5O2/c1-9(17(20,21)22)24-15(28)14-13-7-26(4-5-27(13)8-23-14)16(29)25-10-2-3-11(18)12(19)6-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,24,28)(H,25,29)/t9-/m1/s1
InChIKeyVOXBLTRHOVOBSG-SECBINFHSA-N
XLogP2.89
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-N-(3,4-difluorophenyl)-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)-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)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 137452752) is 7-N-(3,4-difluorophenyl)-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)-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)-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)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.
What is the InChIKey of 7-N-(3,4-difluorophenyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is VOXBLTRHOVOBSG-SECBINFHSA-N. The full InChI is InChI=1S/C17H16F5N5O2/c1-9(17(20,21)22)24-15(28)14-13-7-26(4-5-27(13)8-23-14)16(29)25-10-2-3-11(18)12(19)6-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,24,28)(H,25,29)/t9-/m1/s1.
What are the key properties of 7-N-(3,4-difluorophenyl)-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)-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 417.34 g/mol, XLogP of 2.89, 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)-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 137452752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).