(1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate

C19H23FN4O4 — CID 122452919

IUPAC(1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate
SMILESCC(C)(C)C1c2c(OC(N)=O)c(-c3ccccc3)c(F)n2CCN1OC(N)=O
InChIInChI=1S/C19H23FN4O4/c1-19(2,3)15-13-14(27-17(21)25)12(11-7-5-4-6-8-11)16(20)23(13)9-10-24(15)28-18(22)26/h4-8,15H,9-10H2,1-3H3,(H2,21,25)(H2,22,26)
InChIKeySEWLBTSDRJAADV-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.16
Rot. Bonds3

About (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate

(1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate (PubChem CID 122452919) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate.

Molecular Properties

Compound Name(1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate
PubChem CID122452919
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Name(1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate
SMILESCC(C)(C)C1c2c(OC(N)=O)c(-c3ccccc3)c(F)n2CCN1OC(N)=O
InChIInChI=1S/C19H23FN4O4/c1-19(2,3)15-13-14(27-17(21)25)12(11-7-5-4-6-8-11)16(20)23(13)9-10-24(15)28-18(22)26/h4-8,15H,9-10H2,1-3H3,(H2,21,25)(H2,22,26)
InChIKeySEWLBTSDRJAADV-UHFFFAOYSA-N
XLogP3.16
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate?
The IUPAC name of (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate (CID 122452919) is (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate.
What is the SMILES notation for (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate?
The canonical SMILES for (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate is CC(C)(C)C1c2c(OC(N)=O)c(-c3ccccc3)c(F)n2CCN1OC(N)=O.
What is the InChIKey of (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate?
The InChIKey is SEWLBTSDRJAADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-19(2,3)15-13-14(27-17(21)25)12(11-7-5-4-6-8-11)16(20)23(13)9-10-24(15)28-18(22)26/h4-8,15H,9-10H2,1-3H3,(H2,21,25)(H2,22,26).
What are the key properties of (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate?
(1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate has a molecular weight of 390.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate is sourced from PubChem (CID 122452919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).