(E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide

C22H24N4O2 — CID 134136529

IUPAC(E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCN1CCOCC1
InChIInChI=1S/C22H24N4O2/c27-21(23-8-9-26-10-12-28-13-11-26)7-6-17-14-19-20(16-25-22(19)24-15-17)18-4-2-1-3-5-18/h1-7,14-16H,8-13H2,(H,23,27)(H,24,25)/b7-6+
InChIKeyHFGCEDMZDOKBLO-VOTSOKGWSA-N
MW376.46 g/mol
LogP2.69
Rot. Bonds6

About (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide

(E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide (PubChem CID 134136529) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide
PubChem CID134136529
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCN1CCOCC1
InChIInChI=1S/C22H24N4O2/c27-21(23-8-9-26-10-12-28-13-11-26)7-6-17-14-19-20(16-25-22(19)24-15-17)18-4-2-1-3-5-18/h1-7,14-16H,8-13H2,(H,23,27)(H,24,25)/b7-6+
InChIKeyHFGCEDMZDOKBLO-VOTSOKGWSA-N
XLogP2.69
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide (CID 134136529) is (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide is O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCN1CCOCC1.
What is the InChIKey of (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide?
The InChIKey is HFGCEDMZDOKBLO-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(23-8-9-26-10-12-28-13-11-26)7-6-17-14-19-20(16-25-22(19)24-15-17)18-4-2-1-3-5-18/h1-7,14-16H,8-13H2,(H,23,27)(H,24,25)/b7-6+.
What are the key properties of (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide?
(E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide has a molecular weight of 376.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-morpholin-4-ylethyl)-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide is sourced from PubChem (CID 134136529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).