(E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide

C23H22N6O3 — CID 126568460

About (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide

(E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide (PubChem CID 126568460) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide
• PubChem CID: 126568460
• Molecular Formula: C23H22N6O3
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.18
• IUPAC Name: (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide
• SMILES: O=C(/C=C/c1cnccc1-c1cnn(CCO)c1)Nc1ccc(CCc2nnco2)cc1
• InChI: InChI=1S/C23H22N6O3/c30-12-11-29-15-19(14-26-29)21-9-10-24-13-18(21)4-7-22(31)27-20-5-1-17(2-6-20)3-8-23-28-25-16-32-23/h1-2,4-7,9-10,13-16,30H,3,8,11-12H2,(H,27,31)/b7-4+
• InChIKey: QAKMMNCNZBKLJJ-QPJJXVBHSA-N
• XLogP: 2.76
• TPSA: 118.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide?

The IUPAC name of (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide (CID 126568460) is (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide?

The canonical SMILES for (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide is O=C(/C=C/c1cnccc1-c1cnn(CCO)c1)Nc1ccc(CCc2nnco2)cc1.

What is the InChIKey of (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide?

The InChIKey is QAKMMNCNZBKLJJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-12-11-29-15-19(14-26-29)21-9-10-24-13-18(21)4-7-22(31)27-20-5-1-17(2-6-20)3-8-23-28-25-16-32-23/h1-2,4-7,9-10,13-16,30H,3,8,11-12H2,(H,27,31)/b7-4+.

What are the key properties of (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide?

(E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide has a molecular weight of 430.47 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 126568460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).