5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C19H20ClN5O — CID 54584563

IUPAC5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)n1
InChIInChI=1S/C19H20ClN5O/c1-24-7-6-18(23-24)16-12-19(21-13-17(16)20)22-14-2-4-15(5-3-14)25-8-10-26-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,21,22)
InChIKeyLVGLNTAMDRUXSB-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 54584563) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID54584563
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)n1
InChIInChI=1S/C19H20ClN5O/c1-24-7-6-18(23-24)16-12-19(21-13-17(16)20)22-14-2-4-15(5-3-14)25-8-10-26-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,21,22)
InChIKeyLVGLNTAMDRUXSB-UHFFFAOYSA-N
XLogP3.72
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine 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 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 54584563) is 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Cn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)n1.
What is the InChIKey of 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is LVGLNTAMDRUXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-24-7-6-18(23-24)16-12-19(21-13-17(16)20)22-14-2-4-15(5-3-14)25-8-10-26-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,21,22).
What are the key properties of 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 369.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 54584563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).