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

C18H20F3N5O2 — CID 137452700

IUPAC1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC[C@@H](C)NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C18H20F3N5O2/c1-3-10(2)23-17(27)16-14-8-25(4-5-26(14)9-22-16)18(28)24-11-6-12(19)15(21)13(20)7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,23,27)(H,24,28)/t10-/m1/s1
InChIKeyIRSASFUVASNTNX-SNVBAGLBSA-N
MW395.39 g/mol
LogP2.88
Rot. Bonds4

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

1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 137452700) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID137452700
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC[C@@H](C)NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C18H20F3N5O2/c1-3-10(2)23-17(27)16-14-8-25(4-5-26(14)9-22-16)18(28)24-11-6-12(19)15(21)13(20)7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,23,27)(H,24,28)/t10-/m1/s1
InChIKeyIRSASFUVASNTNX-SNVBAGLBSA-N
XLogP2.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The IUPAC name of 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 137452700) is 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.
What is the SMILES notation for 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The canonical SMILES for 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is CC[C@@H](C)NC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.
What is the InChIKey of 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is IRSASFUVASNTNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-3-10(2)23-17(27)16-14-8-25(4-5-26(14)9-22-16)18(28)24-11-6-12(19)15(21)13(20)7-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,23,27)(H,24,28)/t10-/m1/s1.
What are the key properties of 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2R)-butan-2-yl]-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 137452700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).