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

C18H18F5N5O2 — CID 137452756

IUPAC(6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESC[C@H]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F5N5O2/c1-9-6-27-8-24-15(16(29)25-10(2)18(21,22)23)14(27)7-28(9)17(30)26-11-3-4-12(19)13(20)5-11/h3-5,8-10H,6-7H2,1-2H3,(H,25,29)(H,26,30)/t9-,10+/m0/s1
InChIKeyOYDRJZKKQDYCNI-VHSXEESVSA-N
MW431.37 g/mol
LogP3.28
Rot. Bonds3

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

(6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 137452756) has the molecular formula C18H18F5N5O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is (6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name(6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID137452756
Molecular FormulaC18H18F5N5O2
Molecular Weight431.37 g/mol
Exact Mass431.14
IUPAC Name(6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESC[C@H]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F5N5O2/c1-9-6-27-8-24-15(16(29)25-10(2)18(21,22)23)14(27)7-28(9)17(30)26-11-3-4-12(19)13(20)5-11/h3-5,8-10H,6-7H2,1-2H3,(H,25,29)(H,26,30)/t9-,10+/m0/s1
InChIKeyOYDRJZKKQDYCNI-VHSXEESVSA-N
XLogP3.28
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-7-N-(3,4-difluorophenyl)-6-methyl-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 (6S)-7-N-(3,4-difluorophenyl)-6-methyl-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 (6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 137452756) is (6S)-7-N-(3,4-difluorophenyl)-6-methyl-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 (6S)-7-N-(3,4-difluorophenyl)-6-methyl-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 (6S)-7-N-(3,4-difluorophenyl)-6-methyl-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]1Cn2cnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is OYDRJZKKQDYCNI-VHSXEESVSA-N. The full InChI is InChI=1S/C18H18F5N5O2/c1-9-6-27-8-24-15(16(29)25-10(2)18(21,22)23)14(27)7-28(9)17(30)26-11-3-4-12(19)13(20)5-11/h3-5,8-10H,6-7H2,1-2H3,(H,25,29)(H,26,30)/t9-,10+/m0/s1.
What are the key properties of (6S)-7-N-(3,4-difluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
(6S)-7-N-(3,4-difluorophenyl)-6-methyl-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 431.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-N-(3,4-difluorophenyl)-6-methyl-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 137452756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).