2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

C38H35ClF2N8O5 — CID 157319218

About 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 157319218) has the molecular formula C38H35ClF2N8O5 and a molecular weight of 757.20 g/mol. Its IUPAC name is 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
• PubChem CID: 157319218
• Molecular Formula: C38H35ClF2N8O5
• Molecular Weight: 757.20 g/mol
• Exact Mass: 756.24
• IUPAC Name: 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
• SMILES: COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(Cl)n1.N#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C21H18FN5O2.C17H17ClFN3O3/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20;1-24-16-8-11(7-15(18)22-16)17(23)21-13-3-2-10(6-12(13)19)14-9-20-4-5-25-14/h1-7,9,11,20,24H,8,10,13H2,(H,25,28);2-3,6-8,14,20H,4-5,9H2,1H3,(H,21,23)/t;14-/m.1/s1
• InChIKey: BDYVFKLGWDDFTA-KSLSDJDQSA-N
• XLogP: 5.59
• TPSA: 164.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	757.20
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?

The IUPAC name of 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 157319218) is 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

What is the SMILES notation for 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?

The canonical SMILES for 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(Cl)n1.N#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.

What is the InChIKey of 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?

The InChIKey is BDYVFKLGWDDFTA-KSLSDJDQSA-N. The full InChI is InChI=1S/C21H18FN5O2.C17H17ClFN3O3/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20;1-24-16-8-11(7-15(18)22-16)17(23)21-13-3-2-10(6-12(13)19)14-9-20-4-5-25-14/h1-7,9,11,20,24H,8,10,13H2,(H,25,28);2-3,6-8,14,20H,4-5,9H2,1H3,(H,21,23)/t;14-/m.1/s1.

What are the key properties of 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?

2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 757.20 g/mol, XLogP of 5.59, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 157319218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).