(2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide

C21H19FN6O2 — CID 22965633

IUPAC(2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ncc(NC(=O)[C@@H](N)CO)nc21
InChIInChI=1S/C21H19FN6O2/c1-28-19(13-2-4-14(22)5-3-13)17(12-6-8-24-9-7-12)18-20(28)26-16(10-25-18)27-21(30)15(23)11-29/h2-10,15,29H,11,23H2,1H3,(H,26,27,30)/t15-/m0/s1
InChIKeyZELFFQLFFNHQBU-HNNXBMFYSA-N
MW406.42 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide

(2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide (PubChem CID 22965633) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide
PubChem CID22965633
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name(2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ncc(NC(=O)[C@@H](N)CO)nc21
InChIInChI=1S/C21H19FN6O2/c1-28-19(13-2-4-14(22)5-3-13)17(12-6-8-24-9-7-12)18-20(28)26-16(10-25-18)27-21(30)15(23)11-29/h2-10,15,29H,11,23H2,1H3,(H,26,27,30)/t15-/m0/s1
InChIKeyZELFFQLFFNHQBU-HNNXBMFYSA-N
XLogP2.09
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide (CID 22965633) is (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide is Cn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ncc(NC(=O)[C@@H](N)CO)nc21.
What is the InChIKey of (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide?
The InChIKey is ZELFFQLFFNHQBU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-28-19(13-2-4-14(22)5-3-13)17(12-6-8-24-9-7-12)18-20(28)26-16(10-25-18)27-21(30)15(23)11-29/h2-10,15,29H,11,23H2,1H3,(H,26,27,30)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide?
(2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide has a molecular weight of 406.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-(4-fluorophenyl)-5-methyl-7-pyridin-4-ylpyrrolo[2,3-b]pyrazin-3-yl]-3-hydroxypropanamide is sourced from PubChem (CID 22965633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).