2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

C24H28N4O2 — CID 92615795

IUPAC2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(-c3cnn(C)c3)cn2)cc1
InChIInChI=1S/C24H28N4O2/c1-24(2,19-8-10-20(30-4)11-9-19)23(29)28-13-5-6-22(28)21-12-7-17(14-25-21)18-15-26-27(3)16-18/h7-12,14-16,22H,5-6,13H2,1-4H3/t22-/m0/s1
InChIKeyIOFNQAFULKMOLL-QFIPXVFZSA-N
MW404.51 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 92615795) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
PubChem CID92615795
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(-c3cnn(C)c3)cn2)cc1
InChIInChI=1S/C24H28N4O2/c1-24(2,19-8-10-20(30-4)11-9-19)23(29)28-13-5-6-22(28)21-12-7-17(14-25-21)18-15-26-27(3)16-18/h7-12,14-16,22H,5-6,13H2,1-4H3/t22-/m0/s1
InChIKeyIOFNQAFULKMOLL-QFIPXVFZSA-N
XLogP4.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 92615659
1-[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)-2-methylpropan-1-one
CID 92615839
2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265442
1-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 127251089
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574
1-[(2S)-2-[6-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 95835785
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97009815
2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one
CID 75383198
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 92615795) is 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(-c3cnn(C)c3)cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is IOFNQAFULKMOLL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-24(2,19-8-10-20(30-4)11-9-19)23(29)28-13-5-6-22(28)21-12-7-17(14-25-21)18-15-26-27(3)16-18/h7-12,14-16,22H,5-6,13H2,1-4H3/t22-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 404.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92615795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).