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

C20H25FN2 — CID 141326248

IUPAC2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCn2c(cc(-c3ccccc3F)c2C2CC2)C1
InChIInChI=1S/C20H25FN2/c1-20(2,3)22-10-11-23-15(13-22)12-17(19(23)14-8-9-14)16-6-4-5-7-18(16)21/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyLPADFFRFDHHWIH-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.79
Rot. Bonds2

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

2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 141326248) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID141326248
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCn2c(cc(-c3ccccc3F)c2C2CC2)C1
InChIInChI=1S/C20H25FN2/c1-20(2,3)22-10-11-23-15(13-22)12-17(19(23)14-8-9-14)16-6-4-5-7-18(16)21/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyLPADFFRFDHHWIH-UHFFFAOYSA-N
XLogP4.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 141326248) is 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)(C)N1CCn2c(cc(-c3ccccc3F)c2C2CC2)C1.
What is the InChIKey of 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is LPADFFRFDHHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-20(2,3)22-10-11-23-15(13-22)12-17(19(23)14-8-9-14)16-6-4-5-7-18(16)21/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 312.43 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 141326248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).