[2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

C19H17F3N6O2 — CID 126597504

IUPAC[2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-n3ncc4ccc(C(F)(F)F)cc43)nc12
InChIInChI=1S/C19H17F3N6O2/c1-18(2,3)27-17(29)30-13-8-23-16-15(13)26-14(9-24-16)28-12-6-11(19(20,21)22)5-4-10(12)7-25-28/h4-9H,1-3H3,(H,23,24)(H,27,29)
InChIKeyBMVFFECQCOYYFT-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.20
Rot. Bonds2

About [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

[2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (PubChem CID 126597504) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
PubChem CID126597504
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name[2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-n3ncc4ccc(C(F)(F)F)cc43)nc12
InChIInChI=1S/C19H17F3N6O2/c1-18(2,3)27-17(29)30-13-8-23-16-15(13)26-14(9-24-16)28-12-6-11(19(20,21)22)5-4-10(12)7-25-28/h4-9H,1-3H3,(H,23,24)(H,27,29)
InChIKeyBMVFFECQCOYYFT-UHFFFAOYSA-N
XLogP4.20
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280006
[2-(1-methyl-6-methylsulfonylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597661
(2-isoquinolin-8-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-tert-butylcarbamate
CID 126597899
[2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597874
[2-nitro-4-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174495859
ethyl 2-[1-[6-[6-(trifluoromethyl)indazol-1-yl]pyrazin-2-yl]pyrrol-3-yl]acetate
CID 25057155
(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 67371880
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-3,3-dimethylbutan-2-yl]carbamate
CID 126597719
[2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 126597947
1-[(2R,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 170788988
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-yl] hydrogen carbonate
CID 139617802
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-2-yl)ethyl]carbamate
CID 126597819

Frequently Asked Questions

What is the IUPAC name of [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The IUPAC name of [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (CID 126597504) is [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The canonical SMILES for [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1c[nH]c2ncc(-n3ncc4ccc(C(F)(F)F)cc43)nc12.
What is the InChIKey of [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The InChIKey is BMVFFECQCOYYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-18(2,3)27-17(29)30-13-8-23-16-15(13)26-14(9-24-16)28-12-6-11(19(20,21)22)5-4-10(12)7-25-28/h4-9H,1-3H3,(H,23,24)(H,27,29).
What are the key properties of [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
[2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate has a molecular weight of 418.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is sourced from PubChem (CID 126597504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).