4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C24H24Cl2F3N5O2 — CID 131969560

IUPAC4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=C(Cl)/C(=C\C=C(/C)NC(=O)N1CC=C(c2ncc(-c3cnn(CCO)c3)cc2Cl)CC1)C(F)(F)F
InChIInChI=1S/C24H24Cl2F3N5O2/c1-15(3-4-20(16(2)25)24(27,28)29)32-23(36)33-7-5-17(6-8-33)22-21(26)11-18(12-30-22)19-13-31-34(14-19)9-10-35/h3-5,11-14,35H,2,6-10H2,1H3,(H,32,36)/b15-3+,20-4+
InChIKeyXUSJMHWKNYMAFK-RJOOWQEBSA-N
MW542.39 g/mol
LogP5.53
Rot. Bonds7

About 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 131969560) has the molecular formula C24H24Cl2F3N5O2 and a molecular weight of 542.39 g/mol. Its IUPAC name is 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID131969560
Molecular FormulaC24H24Cl2F3N5O2
Molecular Weight542.39 g/mol
Exact Mass541.13
IUPAC Name4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=C(Cl)/C(=C\C=C(/C)NC(=O)N1CC=C(c2ncc(-c3cnn(CCO)c3)cc2Cl)CC1)C(F)(F)F
InChIInChI=1S/C24H24Cl2F3N5O2/c1-15(3-4-20(16(2)25)24(27,28)29)32-23(36)33-7-5-17(6-8-33)22-21(26)11-18(12-30-22)19-13-31-34(14-19)9-10-35/h3-5,11-14,35H,2,6-10H2,1H3,(H,32,36)/b15-3+,20-4+
InChIKeyXUSJMHWKNYMAFK-RJOOWQEBSA-N
XLogP5.53
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.39
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide 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 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 131969560) is 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is C=C(Cl)/C(=C\C=C(/C)NC(=O)N1CC=C(c2ncc(-c3cnn(CCO)c3)cc2Cl)CC1)C(F)(F)F.
What is the InChIKey of 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is XUSJMHWKNYMAFK-RJOOWQEBSA-N. The full InChI is InChI=1S/C24H24Cl2F3N5O2/c1-15(3-4-20(16(2)25)24(27,28)29)32-23(36)33-7-5-17(6-8-33)22-21(26)11-18(12-30-22)19-13-31-34(14-19)9-10-35/h3-5,11-14,35H,2,6-10H2,1H3,(H,32,36)/b15-3+,20-4+.
What are the key properties of 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 542.39 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]-N-[(2E,4Z)-6-chloro-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 131969560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).