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

C21H23FN6O3 — CID 69071869

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide
SMILESCc1nccc(OCC2CN(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)CCO2)n1
InChIInChI=1S/C21H23FN6O3/c1-15-23-7-6-20(25-15)31-14-19-13-27(8-9-30-19)21(29)26-18-10-24-28(12-18)11-16-2-4-17(22)5-3-16/h2-7,10,12,19H,8-9,11,13-14H2,1H3,(H,26,29)
InChIKeyVZZWTCGSZFNVDK-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.48
Rot. Bonds6

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide (PubChem CID 69071869) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide
PubChem CID69071869
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide
SMILESCc1nccc(OCC2CN(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)CCO2)n1
InChIInChI=1S/C21H23FN6O3/c1-15-23-7-6-20(25-15)31-14-19-13-27(8-9-30-19)21(29)26-18-10-24-28(12-18)11-16-2-4-17(22)5-3-16/h2-7,10,12,19H,8-9,11,13-14H2,1H3,(H,26,29)
InChIKeyVZZWTCGSZFNVDK-UHFFFAOYSA-N
XLogP2.48
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide
CID 69073936
2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide
CID 87678799
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 95134155
3-[(2-chlorophenyl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 69070499
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
2-[(2-chloro-5-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 24899481
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
CID 75448476
(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 95969370
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide (CID 69071869) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide is Cc1nccc(OCC2CN(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)CCO2)n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide?
The InChIKey is VZZWTCGSZFNVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-15-23-7-6-20(25-15)31-14-19-13-27(8-9-30-19)21(29)26-18-10-24-28(12-18)11-16-2-4-17(22)5-3-16/h2-7,10,12,19H,8-9,11,13-14H2,1H3,(H,26,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(2-methylpyrimidin-4-yl)oxymethyl]morpholine-4-carboxamide is sourced from PubChem (CID 69071869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).