2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide

C21H21ClFN5O3 — CID 87678799

IUPAC2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCOC(COc2cccc(Cl)n2)C1
InChIInChI=1S/C21H21ClFN5O3/c22-19-2-1-3-20(26-19)31-14-18-13-27(8-9-30-18)21(29)25-17-10-24-28(12-17)11-15-4-6-16(23)7-5-15/h1-7,10,12,18H,8-9,11,13-14H2,(H,25,29)
InChIKeyYWRJQUROJUGBML-UHFFFAOYSA-N
MW445.88 g/mol
LogP3.43
Rot. Bonds6

About 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide

2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide (PubChem CID 87678799) has the molecular formula C21H21ClFN5O3 and a molecular weight of 445.88 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide
PubChem CID87678799
Molecular FormulaC21H21ClFN5O3
Molecular Weight445.88 g/mol
Exact Mass445.13
IUPAC Name2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCOC(COc2cccc(Cl)n2)C1
InChIInChI=1S/C21H21ClFN5O3/c22-19-2-1-3-20(26-19)31-14-18-13-27(8-9-30-18)21(29)25-17-10-24-28(12-17)11-15-4-6-16(23)7-5-15/h1-7,10,12,18H,8-9,11,13-14H2,(H,25,29)
InChIKeyYWRJQUROJUGBML-UHFFFAOYSA-N
XLogP3.43
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide
CID 69071869
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide
CID 69073936
3-[(2-chlorophenyl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 69070499
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 95134155
(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 127028182
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide
CID 69071874
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 69073211

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide (CID 87678799) is 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCOC(COc2cccc(Cl)n2)C1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide?
The InChIKey is YWRJQUROJUGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN5O3/c22-19-2-1-3-20(26-19)31-14-18-13-27(8-9-30-18)21(29)25-17-10-24-28(12-17)11-15-4-6-16(23)7-5-15/h1-7,10,12,18H,8-9,11,13-14H2,(H,25,29).
What are the key properties of 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide?
2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide has a molecular weight of 445.88 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 87678799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).