4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

C24H26ClFN6O3 — CID 11951500

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCOc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H26ClFN6O3/c1-34-21-15-29-22(17-13-16(25)3-4-19(17)26)31-23(21)30-20-5-7-27-14-18(20)24(33)28-6-2-8-32-9-11-35-12-10-32/h3-5,7,13-15H,2,6,8-12H2,1H3,(H,28,33)(H,27,29,30,31)
InChIKeyBONQCBZOMRGAFO-UHFFFAOYSA-N
MW500.96 g/mol
LogP3.54
Rot. Bonds9

About 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 11951500) has the molecular formula C24H26ClFN6O3 and a molecular weight of 500.96 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID11951500
Molecular FormulaC24H26ClFN6O3
Molecular Weight500.96 g/mol
Exact Mass500.17
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCOc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H26ClFN6O3/c1-34-21-15-29-22(17-13-16(25)3-4-19(17)26)31-23(21)30-20-5-7-27-14-18(20)24(33)28-6-2-8-32-9-11-35-12-10-32/h3-5,7,13-15H,2,6,8-12H2,1H3,(H,28,33)(H,27,29,30,31)
InChIKeyBONQCBZOMRGAFO-UHFFFAOYSA-N
XLogP3.54
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.96
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-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-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 11951500) is 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is BONQCBZOMRGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O3/c1-34-21-15-29-22(17-13-16(25)3-4-19(17)26)31-23(21)30-20-5-7-27-14-18(20)24(33)28-6-2-8-32-9-11-35-12-10-32/h3-5,7,13-15H,2,6,8-12H2,1H3,(H,28,33)(H,27,29,30,31).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 500.96 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 11951500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).