2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C23H27F3N4O2 — CID 54761628

IUPAC2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1
InChIInChI=1S/C23H27F3N4O2/c1-22(2,3)28-21(32)29-9-10-30-16(12-29)18(20(27)31)17(19(30)13-7-8-13)14-5-4-6-15(11-14)23(24,25)26/h4-6,11,13H,7-10,12H2,1-3H3,(H2,27,31)(H,28,32)
InChIKeyZGSKTSCLKIRTQZ-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.47
Rot. Bonds3

About 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 54761628) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID54761628
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1
InChIInChI=1S/C23H27F3N4O2/c1-22(2,3)28-21(32)29-9-10-30-16(12-29)18(20(27)31)17(19(30)13-7-8-13)14-5-4-6-15(11-14)23(24,25)26/h4-6,11,13H,7-10,12H2,1-3H3,(H2,27,31)(H,28,32)
InChIKeyZGSKTSCLKIRTQZ-UHFFFAOYSA-N
XLogP4.47
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 54761628) is 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1.
What is the InChIKey of 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is ZGSKTSCLKIRTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-22(2,3)28-21(32)29-9-10-30-16(12-29)18(20(27)31)17(19(30)13-7-8-13)14-5-4-6-15(11-14)23(24,25)26/h4-6,11,13H,7-10,12H2,1-3H3,(H2,27,31)(H,28,32).
What are the key properties of 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 448.49 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-cyclopropyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 54761628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).