[2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

C16H20N4O2 — CID 67371097

IUPAC[2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(C3=CCCCC3)nc12
InChIInChI=1S/C16H20N4O2/c1-10(2)19-16(21)22-13-9-18-15-14(13)20-12(8-17-15)11-6-4-3-5-7-11/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyULGDWIZZXSMUEK-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.41
Rot. Bonds3

About [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

[2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67371097) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67371097
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(C3=CCCCC3)nc12
InChIInChI=1S/C16H20N4O2/c1-10(2)19-16(21)22-13-9-18-15-14(13)20-12(8-17-15)11-6-4-3-5-7-11/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyULGDWIZZXSMUEK-UHFFFAOYSA-N
XLogP3.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)cyclohexyl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788722
1-[(2R,4R)-1-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-methylpiperidin-4-yl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788952
1-[(2S,4S)-1-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-methylpiperidin-4-yl]-1-methyl-3-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]urea
CID 170788981
[2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 67371878
[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 67372554
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate
CID 126597487
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
CID 126597488
[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 126597547
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-3,3-difluorobutan-2-yl]carbamate
CID 126597567
[2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597584
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate
CID 126597591
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate
CID 126597604

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67371097) is [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(C3=CCCCC3)nc12.
What is the InChIKey of [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is ULGDWIZZXSMUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)19-16(21)22-13-9-18-15-14(13)20-12(8-17-15)11-6-4-3-5-7-11/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 300.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67371097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).