N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H22F2N4O2 — CID 67125198

IUPACN-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NCCC1CCCCC1)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12
InChIInChI=1S/C21H22F2N4O2/c22-14-6-7-17(16(23)10-14)29-18-12-26-20-19(27-18)15(11-25-20)21(28)24-9-8-13-4-2-1-3-5-13/h6-7,10-13H,1-5,8-9H2,(H,24,28)(H,25,26)
InChIKeyYTZBYBZISJBURW-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.73
Rot. Bonds6

About N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67125198) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67125198
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NCCC1CCCCC1)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12
InChIInChI=1S/C21H22F2N4O2/c22-14-6-7-17(16(23)10-14)29-18-12-26-20-19(27-18)15(11-25-20)21(28)24-9-8-13-4-2-1-3-5-13/h6-7,10-13H,1-5,8-9H2,(H,24,28)(H,25,26)
InChIKeyYTZBYBZISJBURW-UHFFFAOYSA-N
XLogP4.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 89463752
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CID 168274289
CID 168274289
CID 168295385
CID 168295385
CID 25218568
CID 25218568
CID 25218572
CID 25218572
CID 10743446
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CID 145984368
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CID 10154537

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67125198) is N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(NCCC1CCCCC1)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12.
What is the InChIKey of N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YTZBYBZISJBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-14-6-7-17(16(23)10-14)29-18-12-26-20-19(27-18)15(11-25-20)21(28)24-9-8-13-4-2-1-3-5-13/h6-7,10-13H,1-5,8-9H2,(H,24,28)(H,25,26).
What are the key properties of N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67125198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).