[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone

C23H25ClN4O3 — CID 3817338

IUPAC[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
SMILESCCCc1c(C(=O)N2CCOC(COc3cncc(Cl)c3)C2)cnn1-c1ccccc1
InChIInChI=1S/C23H25ClN4O3/c1-2-6-22-21(14-26-28(22)18-7-4-3-5-8-18)23(29)27-9-10-30-20(15-27)16-31-19-11-17(24)12-25-13-19/h3-5,7-8,11-14,20H,2,6,9-10,15-16H2,1H3
InChIKeyPWWSQDMCWDYIHI-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.79
Rot. Bonds7

About [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone

[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone (PubChem CID 3817338) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
PubChem CID3817338
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
SMILESCCCc1c(C(=O)N2CCOC(COc3cncc(Cl)c3)C2)cnn1-c1ccccc1
InChIInChI=1S/C23H25ClN4O3/c1-2-6-22-21(14-26-28(22)18-7-4-3-5-8-18)23(29)27-9-10-30-20(15-27)16-31-19-11-17(24)12-25-13-19/h3-5,7-8,11-14,20H,2,6,9-10,15-16H2,1H3
InChIKeyPWWSQDMCWDYIHI-UHFFFAOYSA-N
XLogP3.79
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone with MolForge

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Related Compounds

4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 3737698
2-[(2R)-4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124684984
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5103891
1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 3483666
3-(1H-benzimidazol-2-yl)-1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]propan-1-one
CID 3745708
methyl 5-[[4-(2-iodobenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3750050
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
2-[[4-(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607006
[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
CID 3871142
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 2811414

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
The IUPAC name of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone (CID 3817338) is [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
The canonical SMILES for [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone is CCCc1c(C(=O)N2CCOC(COc3cncc(Cl)c3)C2)cnn1-c1ccccc1.
What is the InChIKey of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
The InChIKey is PWWSQDMCWDYIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-2-6-22-21(14-26-28(22)18-7-4-3-5-8-18)23(29)27-9-10-30-20(15-27)16-31-19-11-17(24)12-25-13-19/h3-5,7-8,11-14,20H,2,6,9-10,15-16H2,1H3.
What are the key properties of [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone?
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone has a molecular weight of 440.93 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 3817338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).