(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide

C23H24N4O2 — CID 126568643

IUPAC(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide
SMILESCOC(C)c1ccc(NC(=O)/C=C/c2cnccc2-c2cnn(C3CC3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(29-2)17-3-6-20(7-4-17)26-23(28)10-5-18-13-24-12-11-22(18)19-14-25-27(15-19)21-8-9-21/h3-7,10-16,21H,8-9H2,1-2H3,(H,26,28)/b10-5+
InChIKeyJJDCPOMGEDPUMO-BJMVGYQFSA-N
MW388.47 g/mol
LogP4.64
Rot. Bonds7

About (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide

(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide (PubChem CID 126568643) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide
PubChem CID126568643
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide
SMILESCOC(C)c1ccc(NC(=O)/C=C/c2cnccc2-c2cnn(C3CC3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(29-2)17-3-6-20(7-4-17)26-23(28)10-5-18-13-24-12-11-22(18)19-14-25-27(15-19)21-8-9-21/h3-7,10-16,21H,8-9H2,1-2H3,(H,26,28)/b10-5+
InChIKeyJJDCPOMGEDPUMO-BJMVGYQFSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide (CID 126568643) is (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide is COC(C)c1ccc(NC(=O)/C=C/c2cnccc2-c2cnn(C3CC3)c2)cc1.
What is the InChIKey of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide?
The InChIKey is JJDCPOMGEDPUMO-BJMVGYQFSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(29-2)17-3-6-20(7-4-17)26-23(28)10-5-18-13-24-12-11-22(18)19-14-25-27(15-19)21-8-9-21/h3-7,10-16,21H,8-9H2,1-2H3,(H,26,28)/b10-5+.
What are the key properties of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide?
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide has a molecular weight of 388.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(1-methoxyethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 126568643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).