4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide

C24H23FN6O2 — CID 118045672

IUPAC4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESCCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CO)c4ccccc4)c(F)c3)n2)cn1
InChIInChI=1S/C24H23FN6O2/c1-2-31-13-17(11-28-31)20-12-27-23(26)22(29-20)16-8-9-18(19(25)10-16)24(33)30-21(14-32)15-6-4-3-5-7-15/h3-13,21,32H,2,14H2,1H3,(H2,26,27)(H,30,33)
InChIKeyRZVHKEAIFXXYPS-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.21
Rot. Bonds7

About 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide

4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide (PubChem CID 118045672) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
PubChem CID118045672
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESCCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CO)c4ccccc4)c(F)c3)n2)cn1
InChIInChI=1S/C24H23FN6O2/c1-2-31-13-17(11-28-31)20-12-27-23(26)22(29-20)16-8-9-18(19(25)10-16)24(33)30-21(14-32)15-6-4-3-5-7-15/h3-13,21,32H,2,14H2,1H3,(H2,26,27)(H,30,33)
InChIKeyRZVHKEAIFXXYPS-UHFFFAOYSA-N
XLogP3.21
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluorobenzoic acid;4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;ethane
CID 158933489
4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045871
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513
4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045817
4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045399
4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046570
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide
CID 118046014
4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045535
4-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(3-methylsulfonylphenyl)methyl]benzamide
CID 118045525
4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045890
methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate
CID 118045787

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
The IUPAC name of 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide (CID 118045672) is 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide.
What is the SMILES notation for 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
The canonical SMILES for 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide is CCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CO)c4ccccc4)c(F)c3)n2)cn1.
What is the InChIKey of 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
The InChIKey is RZVHKEAIFXXYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-2-31-13-17(11-28-31)20-12-27-23(26)22(29-20)16-8-9-18(19(25)10-16)24(33)30-21(14-32)15-6-4-3-5-7-15/h3-13,21,32H,2,14H2,1H3,(H2,26,27)(H,30,33).
What are the key properties of 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide has a molecular weight of 446.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide is sourced from PubChem (CID 118045672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).