(E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

C19H12FN5O2S — CID 118267451

IUPAC(E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(C(=O)c4cnc(F)s4)cc3)nc12
InChIInChI=1S/C19H12FN5O2S/c20-19-24-9-14(28-19)17(27)11-3-1-10(2-4-11)13-8-23-18-16(25-13)12(7-22-18)5-6-15(21)26/h1-9H,(H2,21,26)(H,22,23)/b6-5+
InChIKeyCWBHBWFALMRQOA-AATRIKPKSA-N
MW393.40 g/mol
LogP2.95
Rot. Bonds5

About (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

(E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (PubChem CID 118267451) has the molecular formula C19H12FN5O2S and a molecular weight of 393.40 g/mol. Its IUPAC name is (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
PubChem CID118267451
Molecular FormulaC19H12FN5O2S
Molecular Weight393.40 g/mol
Exact Mass393.07
IUPAC Name(E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(C(=O)c4cnc(F)s4)cc3)nc12
InChIInChI=1S/C19H12FN5O2S/c20-19-24-9-14(28-19)17(27)11-3-1-10(2-4-11)13-8-23-18-16(25-13)12(7-22-18)5-6-15(21)26/h1-9H,(H2,21,26)(H,22,23)/b6-5+
InChIKeyCWBHBWFALMRQOA-AATRIKPKSA-N
XLogP2.95
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-[2-[4-(4-propan-2-ylbenzoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267521
(E)-3-[2-(4-fluoro-3-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705548
(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 144894358
(E)-3-[2-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267527
(E)-3-[2-[4-(1-methylpiperidine-4-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118264186
(E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118264175
(E)-3-[2-(6-isocyano-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 123582062
(E)-3-[2-(4-chloro-3-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705547
(E)-3-[2-[3-chloro-5-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267793
(E)-3-[2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267806
(E)-3-[2-[3-chloro-4-(2-hydroxypropan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267669
(E)-3-[2-(6-chloroquinolin-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267688

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The IUPAC name of (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (CID 118267451) is (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is NC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(C(=O)c4cnc(F)s4)cc3)nc12.
What is the InChIKey of (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The InChIKey is CWBHBWFALMRQOA-AATRIKPKSA-N. The full InChI is InChI=1S/C19H12FN5O2S/c20-19-24-9-14(28-19)17(27)11-3-1-10(2-4-11)13-8-23-18-16(25-13)12(7-22-18)5-6-15(21)26/h1-9H,(H2,21,26)(H,22,23)/b6-5+.
What are the key properties of (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
(E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide has a molecular weight of 393.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[4-(2-fluoro-1,3-thiazole-5-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is sourced from PubChem (CID 118267451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).