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

C22H24FN5O3 — CID 69073936

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide
SMILESCc1ccnc(OCC2CN(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)CCO2)c1
InChIInChI=1S/C22H24FN5O3/c1-16-6-7-24-21(10-16)31-15-20-14-27(8-9-30-20)22(29)26-19-11-25-28(13-19)12-17-2-4-18(23)5-3-17/h2-7,10-11,13,20H,8-9,12,14-15H2,1H3,(H,26,29)
InChIKeyOIMKSNIMARUEFV-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.09
Rot. Bonds6

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide (PubChem CID 69073936) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide
PubChem CID69073936
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide
SMILESCc1ccnc(OCC2CN(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)CCO2)c1
InChIInChI=1S/C22H24FN5O3/c1-16-6-7-24-21(10-16)31-15-20-14-27(8-9-30-20)22(29)26-19-11-25-28(13-19)12-17-2-4-18(23)5-3-17/h2-7,10-11,13,20H,8-9,12,14-15H2,1H3,(H,26,29)
InChIKeyOIMKSNIMARUEFV-UHFFFAOYSA-N
XLogP3.09
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide (CID 69073936) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide is Cc1ccnc(OCC2CN(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)CCO2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide?
The InChIKey is OIMKSNIMARUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-16-6-7-24-21(10-16)31-15-20-14-27(8-9-30-20)22(29)26-19-11-25-28(13-19)12-17-2-4-18(23)5-3-17/h2-7,10-11,13,20H,8-9,12,14-15H2,1H3,(H,26,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[(4-methyl-2-pyridinyl)oxymethyl]morpholine-4-carboxamide is sourced from PubChem (CID 69073936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).