(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate

C20H19N5O2 — CID 126597899

IUPAC(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc4ccncc34)nc12
InChIInChI=1S/C20H19N5O2/c1-20(2,3)25-19(26)27-16-11-23-18-17(16)24-15(10-22-18)13-6-4-5-12-7-8-21-9-14(12)13/h4-11H,1-3H3,(H,22,23)(H,25,26)
InChIKeyQGUGAIIBFBZDIU-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.06
Rot. Bonds2

About (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate

(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate (PubChem CID 126597899) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
PubChem CID126597899
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc4ccncc34)nc12
InChIInChI=1S/C20H19N5O2/c1-20(2,3)25-19(26)27-16-11-23-18-17(16)24-15(10-22-18)13-6-4-5-12-7-8-21-9-14(12)13/h4-11H,1-3H3,(H,22,23)(H,25,26)
InChIKeyQGUGAIIBFBZDIU-UHFFFAOYSA-N
XLogP4.06
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597865
[2-(1-methyl-6-methylsulfonylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597661
[2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 126597505
[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597874
(2-thiophen-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 67370000
[2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597504
[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(2,3-dihydroxypropyl)carbamate
CID 67371127
[2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 67370952
(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 67371880
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
CID 103144236
[2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
CID 126597714
5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline
CID 66763350

Frequently Asked Questions

What is the IUPAC name of (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
The IUPAC name of (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate (CID 126597899) is (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate.
What is the SMILES notation for (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
The canonical SMILES for (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc4ccncc34)nc12.
What is the InChIKey of (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
The InChIKey is QGUGAIIBFBZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-20(2,3)25-19(26)27-16-11-23-18-17(16)24-15(10-22-18)13-6-4-5-12-7-8-21-9-14(12)13/h4-11H,1-3H3,(H,22,23)(H,25,26).
What are the key properties of (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate?
(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate has a molecular weight of 361.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate is sourced from PubChem (CID 126597899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).