[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

C26H26N6O2 — CID 155986971

IUPAC[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1Cc1cc(C(=O)N2CCCC2c2cncc(-c3nccn3C)n2)ccn1
InChIInChI=1S/C26H26N6O2/c1-31-13-11-29-25(31)22-17-27-16-21(30-22)23-7-5-12-32(23)26(33)19-9-10-28-20(15-19)14-18-6-3-4-8-24(18)34-2/h3-4,6,8-11,13,15-17,23H,5,7,12,14H2,1-2H3
InChIKeyVKRDOZBEPPOGHW-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.85
Rot. Bonds6

About [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 155986971) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID155986971
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1Cc1cc(C(=O)N2CCCC2c2cncc(-c3nccn3C)n2)ccn1
InChIInChI=1S/C26H26N6O2/c1-31-13-11-29-25(31)22-17-27-16-21(30-22)23-7-5-12-32(23)26(33)19-9-10-28-20(15-19)14-18-6-3-4-8-24(18)34-2/h3-4,6,8-11,13,15-17,23H,5,7,12,14H2,1-2H3
InChIKeyVKRDOZBEPPOGHW-UHFFFAOYSA-N
XLogP3.85
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(3S)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124980585
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110152298
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124985520
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2S)-2-[6-(3-methylimidazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124999504
[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]-[(3S)-3-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124961482
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]methanone
CID 129455103
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182996
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
[(3S,3aS,7aR)-3-(4-methoxyphenyl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]methanone
CID 129453310
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 155986971) is [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is COc1ccccc1Cc1cc(C(=O)N2CCCC2c2cncc(-c3nccn3C)n2)ccn1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is VKRDOZBEPPOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-31-13-11-29-25(31)22-17-27-16-21(30-22)23-7-5-12-32(23)26(33)19-9-10-28-20(15-19)14-18-6-3-4-8-24(18)34-2/h3-4,6,8-11,13,15-17,23H,5,7,12,14H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[2-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155986971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).