1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C23H26N4O3 — CID 125011310

IUPAC1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccc(-c2cccc([C@@H]3CN(C(=O)CCn4nccc4C)CCO3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-17-10-12-24-27(17)13-11-23(28)26-14-15-30-22(16-26)21-5-3-4-20(25-21)18-6-8-19(29-2)9-7-18/h3-10,12,22H,11,13-16H2,1-2H3/t22-/m0/s1
InChIKeyVPFCEOZHYCUZGJ-QFIPXVFZSA-N
MW406.49 g/mol
LogP3.25
Rot. Bonds6

About 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 125011310) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID125011310
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccc(-c2cccc([C@@H]3CN(C(=O)CCn4nccc4C)CCO3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-17-10-12-24-27(17)13-11-23(28)26-14-15-30-22(16-26)21-5-3-4-20(25-21)18-6-8-19(29-2)9-7-18/h3-10,12,22H,11,13-16H2,1-2H3/t22-/m0/s1
InChIKeyVPFCEOZHYCUZGJ-QFIPXVFZSA-N
XLogP3.25
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 127251461
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
1-[2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 127250561
[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
CID 125005581
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 125026040
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]propyl]pyrimidin-2-one
CID 127250547
2-(4-methoxyphenoxy)-2-methyl-1-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 127250701
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 125014118
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 125011310) is 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is COc1ccc(-c2cccc([C@@H]3CN(C(=O)CCn4nccc4C)CCO3)n2)cc1.
What is the InChIKey of 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is VPFCEOZHYCUZGJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-10-12-24-27(17)13-11-23(28)26-14-15-30-22(16-26)21-5-3-4-20(25-21)18-6-8-19(29-2)9-7-18/h3-10,12,22H,11,13-16H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 406.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 125011310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).