[4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone

C24H28N4O3 — CID 92563520

IUPAC[4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCC[C@@H]2c2nn(C)cc2-c2ccncc2C)cc1
InChIInChI=1S/C24H28N4O3/c1-17-15-25-11-10-20(17)21-16-27(2)26-23(21)22-5-4-12-28(22)24(29)18-6-8-19(9-7-18)31-14-13-30-3/h6-11,15-16,22H,4-5,12-14H2,1-3H3/t22-/m1/s1
InChIKeyMYJLZRVCBRVRNZ-JOCHJYFZSA-N
MW420.51 g/mol
LogP3.79
Rot. Bonds7

About [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone

[4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 92563520) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID92563520
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCC[C@@H]2c2nn(C)cc2-c2ccncc2C)cc1
InChIInChI=1S/C24H28N4O3/c1-17-15-25-11-10-20(17)21-16-27(2)26-23(21)22-5-4-12-28(22)24(29)18-6-8-19(9-7-18)31-14-13-30-3/h6-11,15-16,22H,4-5,12-14H2,1-3H3/t22-/m1/s1
InChIKeyMYJLZRVCBRVRNZ-JOCHJYFZSA-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 ≤ 500420.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(ethoxymethyl)phenyl]-[2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110243415
[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92611267
[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 124961803
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554309
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(2S)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563591
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563590
[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110218379
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 110245839
(3-methoxyphenyl)-[2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110236146
2-(2,6-dimethoxyphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218157
2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 92593691

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone (CID 92563520) is [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone is COCCOc1ccc(C(=O)N2CCC[C@@H]2c2nn(C)cc2-c2ccncc2C)cc1.
What is the InChIKey of [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is MYJLZRVCBRVRNZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-15-25-11-10-20(17)21-16-27(2)26-23(21)22-5-4-12-28(22)24(29)18-6-8-19(9-7-18)31-14-13-30-3/h6-11,15-16,22H,4-5,12-14H2,1-3H3/t22-/m1/s1.
What are the key properties of [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone?
[4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 420.51 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 [4-(2-methoxyethoxy)phenyl]-[(2R)-2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92563520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).