[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

C25H22N2O4 — CID 91140675

IUPAC[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccc[nH]3)ccc2-c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O4/c1-29-22-14-18(15-23(30-2)25(22)31-3)24(28)20-13-17(21-5-4-10-27-21)6-7-19(20)16-8-11-26-12-9-16/h4-15,27H,1-3H3
InChIKeyKFMLEKLWNQZYAT-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.00
Rot. Bonds7

About [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 91140675) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID91140675
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccc[nH]3)ccc2-c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O4/c1-29-22-14-18(15-23(30-2)25(22)31-3)24(28)20-13-17(21-5-4-10-27-21)6-7-19(20)16-8-11-26-12-9-16/h4-15,27H,1-3H3
InChIKeyKFMLEKLWNQZYAT-UHFFFAOYSA-N
XLogP5.00
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,2-dihydroxyethyl)-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 90951672
(2-amino-5-pyridin-4-ylphenyl)-(3,4-dimethoxy-5-methylphenyl)methanone
CID 89276944
[1-(3-methylphenyl)-4-pyridin-4-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 164611339
N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25066423
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 25064338
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
(E)-3-(3,4-dimethoxy-5-pyridin-4-ylphenyl)but-2-enoic acid
CID 82544204
(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 14674009
4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)benzoic acid
CID 66987615
(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120512

Frequently Asked Questions

What is the IUPAC name of [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 91140675) is [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3ccc[nH]3)ccc2-c2ccncc2)cc(OC)c1OC.
What is the InChIKey of [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KFMLEKLWNQZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-22-14-18(15-23(30-2)25(22)31-3)24(28)20-13-17(21-5-4-10-27-21)6-7-19(20)16-8-11-26-12-9-16/h4-15,27H,1-3H3.
What are the key properties of [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 414.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 91140675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).