4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine

C23H24N4O3 — CID 132778350

IUPAC4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine
SMILESCOc1ccc2c(c1)C=C(CN1CCOC(c3cccc(-c4cn[nH]c4)n3)C1)CO2
InChIInChI=1S/C23H24N4O3/c1-28-19-5-6-22-17(10-19)9-16(15-30-22)13-27-7-8-29-23(14-27)21-4-2-3-20(26-21)18-11-24-25-12-18/h2-6,9-12,23H,7-8,13-15H2,1H3,(H,24,25)
InChIKeyXMFZGUHZTHTLNC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.33
Rot. Bonds5

About 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine

4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine (PubChem CID 132778350) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine
PubChem CID132778350
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine
SMILESCOc1ccc2c(c1)C=C(CN1CCOC(c3cccc(-c4cn[nH]c4)n3)C1)CO2
InChIInChI=1S/C23H24N4O3/c1-28-19-5-6-22-17(10-19)9-16(15-30-22)13-27-7-8-29-23(14-27)21-4-2-3-20(26-21)18-11-24-25-12-18/h2-6,9-12,23H,7-8,13-15H2,1H3,(H,24,25)
InChIKeyXMFZGUHZTHTLNC-UHFFFAOYSA-N
XLogP3.33
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine with MolForge

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124975870
N-(1,5-dimethylpyrazol-3-yl)-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 127249768
2-[2-methoxy-4-[[(2R)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 124981115
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
2-[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine
CID 92615747
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-(quinolin-6-ylmethyl)morpholine
CID 125021519
4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250503
(3R,4S)-3-ethyl-1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-methylpiperidin-4-ol
CID 133120080
2-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98677545
(2S)-4-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 124943789
3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
CID 50980464

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine (CID 132778350) is 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine is COc1ccc2c(c1)C=C(CN1CCOC(c3cccc(-c4cn[nH]c4)n3)C1)CO2.
What is the InChIKey of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine?
The InChIKey is XMFZGUHZTHTLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-28-19-5-6-22-17(10-19)9-16(15-30-22)13-27-7-8-29-23(14-27)21-4-2-3-20(26-21)18-11-24-25-12-18/h2-6,9-12,23H,7-8,13-15H2,1H3,(H,24,25).
What are the key properties of 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine?
4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine has a molecular weight of 404.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 132778350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).