(E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

C17H17N5O3 — CID 118268014

IUPAC(E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESC[C@H](O)COc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cn1
InChIInChI=1S/C17H17N5O3/c1-10(23)9-25-15-5-3-11(6-19-15)13-8-21-17-16(22-13)12(7-20-17)2-4-14(18)24/h2-8,10,23H,9H2,1H3,(H2,18,24)(H,20,21)/b4-2+/t10-/m0/s1
InChIKeyQXFQKIZKOUOKPC-YWNRKNDBSA-N
MW339.36 g/mol
LogP1.28
Rot. Bonds6

About (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

(E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (PubChem CID 118268014) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
PubChem CID118268014
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name(E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESC[C@H](O)COc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cn1
InChIInChI=1S/C17H17N5O3/c1-10(23)9-25-15-5-3-11(6-19-15)13-8-21-17-16(22-13)12(7-20-17)2-4-14(18)24/h2-8,10,23H,9H2,1H3,(H2,18,24)(H,20,21)/b4-2+/t10-/m0/s1
InChIKeyQXFQKIZKOUOKPC-YWNRKNDBSA-N
XLogP1.28
TPSA127.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-[5-fluoro-6-(2-hydroxypropoxy)-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122697222
(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 144894358
(E)-3-[2-[4-(4-propan-2-ylbenzoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267521
(E)-3-[5-[6-(2-methylpropoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118264214
(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-(4-fluoro-3-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705548
(E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118264175
(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-(6-ethoxy-5-fluoro-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705550
(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705521
(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-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The IUPAC name of (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (CID 118268014) is (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is C[C@H](O)COc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cn1.
What is the InChIKey of (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The InChIKey is QXFQKIZKOUOKPC-YWNRKNDBSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10(23)9-25-15-5-3-11(6-19-15)13-8-21-17-16(22-13)12(7-20-17)2-4-14(18)24/h2-8,10,23H,9H2,1H3,(H2,18,24)(H,20,21)/b4-2+/t10-/m0/s1.
What are the key properties of (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
(E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide has a molecular weight of 339.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[6-[(2S)-2-hydroxypropoxy]-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is sourced from PubChem (CID 118268014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).