pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone

C20H16N4O — CID 102387943

IUPACpyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone
SMILESO=C(c1ccccn1)c1ccc(C(c2ccncc2)c2ccc[nH]2)[nH]1
InChIInChI=1S/C20H16N4O/c25-20(17-4-1-2-10-23-17)18-7-6-16(24-18)19(15-5-3-11-22-15)14-8-12-21-13-9-14/h1-13,19,22,24H
InChIKeyZJTWEUITSLZDJG-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.54
Rot. Bonds5

About pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone

pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone (PubChem CID 102387943) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone
PubChem CID102387943
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Namepyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone
SMILESO=C(c1ccccn1)c1ccc(C(c2ccncc2)c2ccc[nH]2)[nH]1
InChIInChI=1S/C20H16N4O/c25-20(17-4-1-2-10-23-17)18-7-6-16(24-18)19(15-5-3-11-22-15)14-8-12-21-13-9-14/h1-13,19,22,24H
InChIKeyZJTWEUITSLZDJG-UHFFFAOYSA-N
XLogP3.54
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 10624502
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
(Z)-3-hydroxy-1-pyridin-2-yl-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 102045863
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate
CID 174416527
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
CID 173156131
CID 173156131
[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
[5-[[5-(4-tert-butylbenzoyl)-1H-pyrrol-2-yl]-(4-tert-butylphenyl)methyl]-1H-pyrrol-2-yl]-(4-tert-butylphenyl)methanone
CID 10579447

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone?
The IUPAC name of pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone (CID 102387943) is pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone?
The canonical SMILES for pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone is O=C(c1ccccn1)c1ccc(C(c2ccncc2)c2ccc[nH]2)[nH]1.
What is the InChIKey of pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone?
The InChIKey is ZJTWEUITSLZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(17-4-1-2-10-23-17)18-7-6-16(24-18)19(15-5-3-11-22-15)14-8-12-21-13-9-14/h1-13,19,22,24H.
What are the key properties of pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone?
pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[5-[pyridin-4-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 102387943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).