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

C20H26N4O2 — CID 54761633

IUPAC2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCc1c(-c2ccccc2)c(C(N)=O)c2n1CCN(C(=O)NC(C)(C)C)C2
InChIInChI=1S/C20H26N4O2/c1-13-16(14-8-6-5-7-9-14)17(18(21)25)15-12-23(10-11-24(13)15)19(26)22-20(2,3)4/h5-9H,10-12H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyIHCAQZGWVDHTNR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.89
Rot. Bonds2

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

2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 54761633) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID54761633
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCc1c(-c2ccccc2)c(C(N)=O)c2n1CCN(C(=O)NC(C)(C)C)C2
InChIInChI=1S/C20H26N4O2/c1-13-16(14-8-6-5-7-9-14)17(18(21)25)15-12-23(10-11-24(13)15)19(26)22-20(2,3)4/h5-9H,10-12H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyIHCAQZGWVDHTNR-UHFFFAOYSA-N
XLogP2.89
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 54761633) is 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is Cc1c(-c2ccccc2)c(C(N)=O)c2n1CCN(C(=O)NC(C)(C)C)C2.
What is the InChIKey of 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is IHCAQZGWVDHTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-16(14-8-6-5-7-9-14)17(18(21)25)15-12-23(10-11-24(13)15)19(26)22-20(2,3)4/h5-9H,10-12H2,1-4H3,(H2,21,25)(H,22,26).
What are the key properties of 2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
2-N-tert-butyl-6-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.89, 2 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-methyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 54761633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).