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

C17H16F2N4O2 — CID 54674520

IUPACN-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12
InChIInChI=1S/C17H16F2N4O2/c1-3-9(2)22-17(24)11-7-20-16-15(11)23-14(8-21-16)25-13-5-4-10(18)6-12(13)19/h4-9H,3H2,1-2H3,(H,20,21)(H,22,24)/t9-/m1/s1
InChIKeyDFHYTYFQIMEWPD-SECBINFHSA-N
MW346.34 g/mol
LogP3.56
Rot. Bonds5

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

N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54674520) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54674520
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12
InChIInChI=1S/C17H16F2N4O2/c1-3-9(2)22-17(24)11-7-20-16-15(11)23-14(8-21-16)25-13-5-4-10(18)6-12(13)19/h4-9H,3H2,1-2H3,(H,20,21)(H,22,24)/t9-/m1/s1
InChIKeyDFHYTYFQIMEWPD-SECBINFHSA-N
XLogP3.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 67008828
(E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide (3)
CID 122362931
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
N-[3-fluoro-4-(1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 145984368
N-(6-(pyrimidin-5-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
CID 44250360
1-[7-(2-Methoxy-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-morpholin-4-yl-methanone
CID 44475190
5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-oxazolo[5,4-b]pyridine
CID 44555283
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673763
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-cyclopropyl-ethyl)-amide
CID 54674056
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 54674369
2-(3-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766676
2-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766728

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54674520) is N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC[C@@H](C)NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DFHYTYFQIMEWPD-SECBINFHSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-3-9(2)22-17(24)11-7-20-16-15(11)23-14(8-21-16)25-13-5-4-10(18)6-12(13)19/h4-9H,3H2,1-2H3,(H,20,21)(H,22,24)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54674520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).