7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C23H19F3N6O2 — CID 71160496

IUPAC7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCc1ccc(-c2c(C#N)c(C(N)=O)c3n2CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C3)cn1
InChIInChI=1S/C23H19F3N6O2/c1-13-2-3-14(11-29-13)20-17(10-27)19(21(28)33)18-12-31(8-9-32(18)20)22(34)30-16-6-4-15(5-7-16)23(24,25)26/h2-7,11H,8-9,12H2,1H3,(H2,28,33)(H,30,34)
InChIKeyCUFBOSDXJQSWOV-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.90
Rot. Bonds3

About 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 71160496) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID71160496
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCc1ccc(-c2c(C#N)c(C(N)=O)c3n2CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C3)cn1
InChIInChI=1S/C23H19F3N6O2/c1-13-2-3-14(11-29-13)20-17(10-27)19(21(28)33)18-12-31(8-9-32(18)20)22(34)30-16-6-4-15(5-7-16)23(24,25)26/h2-7,11H,8-9,12H2,1H3,(H2,28,33)(H,30,34)
InChIKeyCUFBOSDXJQSWOV-UHFFFAOYSA-N
XLogP3.90
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide with MolForge

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Related Compounds

tert-butyl 8-carbamoyl-7-cyano-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 68887894
7-cyano-2-N-(4-fluorophenyl)-6-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761816
ethyl 4-[(8-carbamoyl-7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate
CID 58761873
7-cyano-2-N-[4-(2-morpholin-4-ylacetyl)phenyl]-6-prop-2-enyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;prop-1-ene
CID 142221570
N-(2,6-dimethyl-4-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 138054151
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
5-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087150
2-(3,4-difluorophenyl)-3-N-hydrazinylidene-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085618
N-[4-[4-carbamoyl-3-[(2-methoxy-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168849960
7-chloro-2-N-(4-cyanophenyl)-6-cyclohexa-2,4-dien-1-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 142221620
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493

Frequently Asked Questions

What is the IUPAC name of 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 71160496) is 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is Cc1ccc(-c2c(C#N)c(C(N)=O)c3n2CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C3)cn1.
What is the InChIKey of 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is CUFBOSDXJQSWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-13-2-3-14(11-29-13)20-17(10-27)19(21(28)33)18-12-31(8-9-32(18)20)22(34)30-16-6-4-15(5-7-16)23(24,25)26/h2-7,11H,8-9,12H2,1H3,(H2,28,33)(H,30,34).
What are the key properties of 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 468.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-6-(6-methyl-3-pyridinyl)-2-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 71160496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).