(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate

C14H18N4O2 — CID 67372109

IUPAC(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C14H18N4O2/c1-14(2,3)18-13(19)20-10-7-16-12-11(10)17-9(6-15-12)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyOXVLZTQBZUXTAG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.72
Rot. Bonds2

About (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate

(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate (PubChem CID 67372109) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
PubChem CID67372109
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C14H18N4O2/c1-14(2,3)18-13(19)20-10-7-16-12-11(10)17-9(6-15-12)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyOXVLZTQBZUXTAG-UHFFFAOYSA-N
XLogP2.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
CID 67364708
(2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
CID 67365015
[2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 67368520
[2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 67370299
[2-(cyclohexen-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 67371097
(2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
CID 67371212
(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamate
CID 67371385
(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 67371880
(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
CID 87371760
[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597607
7-methoxy-2-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 170012027
4-(7-methoxy-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-methylcyclohex-3-en-1-amine
CID 170788964

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
The IUPAC name of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate (CID 67372109) is (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate.
What is the SMILES notation for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
The canonical SMILES for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
The InChIKey is OXVLZTQBZUXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)18-13(19)20-10-7-16-12-11(10)17-9(6-15-12)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate has a molecular weight of 274.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate is sourced from PubChem (CID 67372109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).