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

C29H33FN4O3 — CID 54761807

IUPAC2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(OCc4ccc(F)cc4)cc3)c2C2CC2)C1
InChIInChI=1S/C29H33FN4O3/c1-29(2,3)32-28(36)33-14-15-34-23(16-33)25(27(31)35)24(26(34)20-6-7-20)19-8-12-22(13-9-19)37-17-18-4-10-21(30)11-5-18/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H2,31,35)(H,32,36)
InChIKeyZSXVPYFPTXKQPO-UHFFFAOYSA-N
MW504.61 g/mol
LogP5.17
Rot. Bonds6

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

2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 54761807) has the molecular formula C29H33FN4O3 and a molecular weight of 504.61 g/mol. Its IUPAC name is 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID54761807
Molecular FormulaC29H33FN4O3
Molecular Weight504.61 g/mol
Exact Mass504.25
IUPAC Name2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(OCc4ccc(F)cc4)cc3)c2C2CC2)C1
InChIInChI=1S/C29H33FN4O3/c1-29(2,3)32-28(36)33-14-15-34-23(16-33)25(27(31)35)24(26(34)20-6-7-20)19-8-12-22(13-9-19)37-17-18-4-10-21(30)11-5-18/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H2,31,35)(H,32,36)
InChIKeyZSXVPYFPTXKQPO-UHFFFAOYSA-N
XLogP5.17
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 54761807) is 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]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-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]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(-c3ccc(OCc4ccc(F)cc4)cc3)c2C2CC2)C1.
What is the InChIKey of 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is ZSXVPYFPTXKQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O3/c1-29(2,3)32-28(36)33-14-15-34-23(16-33)25(27(31)35)24(26(34)20-6-7-20)19-8-12-22(13-9-19)37-17-18-4-10-21(30)11-5-18/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H2,31,35)(H,32,36).
What are the key properties of 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 504.61 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 54761807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).