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

C24H33N5O4 — CID 122452910

IUPAC[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
SMILESCN(C)c1ccc(-c2c(OC(N)=O)c3n(c2C2CC2)CCN(OC(N)=O)C3C(C)(C)C)cc1
InChIInChI=1S/C24H33N5O4/c1-24(2,3)21-19-20(32-22(25)30)17(14-8-10-16(11-9-14)27(4)5)18(15-6-7-15)28(19)12-13-29(21)33-23(26)31/h8-11,15,21H,6-7,12-13H2,1-5H3,(H2,25,30)(H2,26,31)
InChIKeyZYNKADWDDIRYGU-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.97
Rot. Bonds5

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

[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate (PubChem CID 122452910) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate.

Molecular Properties

Compound Name[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
PubChem CID122452910
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
SMILESCN(C)c1ccc(-c2c(OC(N)=O)c3n(c2C2CC2)CCN(OC(N)=O)C3C(C)(C)C)cc1
InChIInChI=1S/C24H33N5O4/c1-24(2,3)21-19-20(32-22(25)30)17(14-8-10-16(11-9-14)27(4)5)18(15-6-7-15)28(19)12-13-29(21)33-23(26)31/h8-11,15,21H,6-7,12-13H2,1-5H3,(H2,25,30)(H2,26,31)
InChIKeyZYNKADWDDIRYGU-UHFFFAOYSA-N
XLogP3.97
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate?
The IUPAC name of [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate (CID 122452910) is [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)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-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate?
The canonical SMILES for [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate is CN(C)c1ccc(-c2c(OC(N)=O)c3n(c2C2CC2)CCN(OC(N)=O)C3C(C)(C)C)cc1.
What is the InChIKey of [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate?
The InChIKey is ZYNKADWDDIRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-24(2,3)21-19-20(32-22(25)30)17(14-8-10-16(11-9-14)27(4)5)18(15-6-7-15)28(19)12-13-29(21)33-23(26)31/h8-11,15,21H,6-7,12-13H2,1-5H3,(H2,25,30)(H2,26,31).
What are the key properties of [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate?
[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate has a molecular weight of 455.56 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate is sourced from PubChem (CID 122452910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).