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

C18H18F4N6O2 — CID 147768811

IUPAC7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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)NC1C=C(C#N)C(F)=CC1)CC2)C(F)(F)F
InChIInChI=1S/C18H18F4N6O2/c1-10(18(20,21)22)25-16(29)15-14-8-27(4-5-28(14)9-24-15)17(30)26-12-2-3-13(19)11(6-12)7-23/h3,6,9-10,12H,2,4-5,8H2,1H3,(H,25,29)(H,26,30)/t10-,12?/m1/s1
InChIKeyHFNKTQUBRPAJBW-RWANSRKNSA-N
MW426.37 g/mol
LogP2.16
Rot. Bonds3

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

7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 147768811) has the molecular formula C18H18F4N6O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is 7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID147768811
Molecular FormulaC18H18F4N6O2
Molecular Weight426.37 g/mol
Exact Mass426.14
IUPAC Name7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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)NC1C=C(C#N)C(F)=CC1)CC2)C(F)(F)F
InChIInChI=1S/C18H18F4N6O2/c1-10(18(20,21)22)25-16(29)15-14-8-27(4-5-28(14)9-24-15)17(30)26-12-2-3-13(19)11(6-12)7-23/h3,6,9-10,12H,2,4-5,8H2,1H3,(H,25,29)(H,26,30)/t10-,12?/m1/s1
InChIKeyHFNKTQUBRPAJBW-RWANSRKNSA-N
XLogP2.16
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 147768811) is 7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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)NC1C=C(C#N)C(F)=CC1)CC2)C(F)(F)F.
What is the InChIKey of 7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is HFNKTQUBRPAJBW-RWANSRKNSA-N. The full InChI is InChI=1S/C18H18F4N6O2/c1-10(18(20,21)22)25-16(29)15-14-8-27(4-5-28(14)9-24-15)17(30)26-12-2-3-13(19)11(6-12)7-23/h3,6,9-10,12H,2,4-5,8H2,1H3,(H,25,29)(H,26,30)/t10-,12?/m1/s1.
What are the key properties of 7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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 426.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3-cyano-4-fluorocyclohexa-2,4-dien-1-yl)-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 147768811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).