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

C23H31N5O6S — CID 122452938

IUPAC[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
SMILESCC(C)(C)C1c2c(OC(N)=O)c(-c3ccc(NS(C)(=O)=O)cc3)c(C3CC3)n2CCN1OC(N)=O
InChIInChI=1S/C23H31N5O6S/c1-23(2,3)20-18-19(33-21(24)29)16(13-7-9-15(10-8-13)26-35(4,31)32)17(14-5-6-14)27(18)11-12-28(20)34-22(25)30/h7-10,14,20,26H,5-6,11-12H2,1-4H3,(H2,24,29)(H2,25,30)
InChIKeyWFDPSRAPWQZYIQ-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.27
Rot. Bonds6

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

[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate (PubChem CID 122452938) has the molecular formula C23H31N5O6S and a molecular weight of 505.60 g/mol. Its IUPAC name is [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)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-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
PubChem CID122452938
Molecular FormulaC23H31N5O6S
Molecular Weight505.60 g/mol
Exact Mass505.20
IUPAC Name[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
SMILESCC(C)(C)C1c2c(OC(N)=O)c(-c3ccc(NS(C)(=O)=O)cc3)c(C3CC3)n2CCN1OC(N)=O
InChIInChI=1S/C23H31N5O6S/c1-23(2,3)20-18-19(33-21(24)29)16(13-7-9-15(10-8-13)26-35(4,31)32)17(14-5-6-14)27(18)11-12-28(20)34-22(25)30/h7-10,14,20,26H,5-6,11-12H2,1-4H3,(H2,24,29)(H2,25,30)
InChIKeyWFDPSRAPWQZYIQ-UHFFFAOYSA-N
XLogP3.27
TPSA158.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
CID 122452903
(1-tert-butyl-2-carbamoyloxy-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl) carbamate
CID 122452919
[1-tert-butyl-2-carbamoyloxy-7-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
CID 122452882
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
CID 43787048
2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate
CID 141231042
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate
CID 142800636
N-[4-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]phenyl]methanesulfonamide;(E)-but-2-enedioic acid
CID 69438181
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210
N-[4-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 102738206
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)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-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate (CID 122452938) is [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)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-(methanesulfonamido)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-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate is CC(C)(C)C1c2c(OC(N)=O)c(-c3ccc(NS(C)(=O)=O)cc3)c(C3CC3)n2CCN1OC(N)=O.
What is the InChIKey of [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate?
The InChIKey is WFDPSRAPWQZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O6S/c1-23(2,3)20-18-19(33-21(24)29)16(13-7-9-15(10-8-13)26-35(4,31)32)17(14-5-6-14)27(18)11-12-28(20)34-22(25)30/h7-10,14,20,26H,5-6,11-12H2,1-4H3,(H2,24,29)(H2,25,30).
What are the key properties of [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate?
[1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate has a molecular weight of 505.60 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-2-carbamoyloxy-6-cyclopropyl-7-[4-(methanesulfonamido)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate is sourced from PubChem (CID 122452938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).