[2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone

C60H52N4O8 — CID 139115175

IUPAC[2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone
SMILESCOc1ccc([C@H]2[C@@H](C(=O)c3ccncc3)[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)c2ccncc2)cc1.COc1ccc([C@H]2[C@@H](C(=O)c3ccncc3)[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)c2ccncc2)cc1
InChIInChI=1S/2C30H26N2O4/c2*1-35-23-7-3-19(4-8-23)25-27(29(33)21-11-15-31-16-12-21)26(20-5-9-24(36-2)10-6-20)28(25)30(34)22-13-17-32-18-14-22/h2*3-18,25-28H,1-2H3/t2*25-,26+,27+,28-
InChIKeyOZCLZJAVAKQPMK-XVCDSBKMSA-N
MW957.10 g/mol
LogP10.75
Rot. Bonds16

About [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone

[2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone (PubChem CID 139115175) has the molecular formula C60H52N4O8 and a molecular weight of 957.10 g/mol. Its IUPAC name is [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone
PubChem CID139115175
Molecular FormulaC60H52N4O8
Molecular Weight957.10 g/mol
Exact Mass956.38
IUPAC Name[2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone
SMILESCOc1ccc([C@H]2[C@@H](C(=O)c3ccncc3)[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)c2ccncc2)cc1.COc1ccc([C@H]2[C@@H](C(=O)c3ccncc3)[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)c2ccncc2)cc1
InChIInChI=1S/2C30H26N2O4/c2*1-35-23-7-3-19(4-8-23)25-27(29(33)21-11-15-31-16-12-21)26(20-5-9-24(36-2)10-6-20)28(25)30(34)22-13-17-32-18-14-22/h2*3-18,25-28H,1-2H3/t2*25-,26+,27+,28-
InChIKeyOZCLZJAVAKQPMK-XVCDSBKMSA-N
XLogP10.75
TPSA156.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.10
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone?
The IUPAC name of [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone (CID 139115175) is [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone?
The canonical SMILES for [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone is COc1ccc([C@H]2[C@@H](C(=O)c3ccncc3)[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)c2ccncc2)cc1.COc1ccc([C@H]2[C@@H](C(=O)c3ccncc3)[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)c2ccncc2)cc1.
What is the InChIKey of [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone?
The InChIKey is OZCLZJAVAKQPMK-XVCDSBKMSA-N. The full InChI is InChI=1S/2C30H26N2O4/c2*1-35-23-7-3-19(4-8-23)25-27(29(33)21-11-15-31-16-12-21)26(20-5-9-24(36-2)10-6-20)28(25)30(34)22-13-17-32-18-14-22/h2*3-18,25-28H,1-2H3/t2*25-,26+,27+,28-.
What are the key properties of [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone?
[2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone has a molecular weight of 957.10 g/mol, XLogP of 10.75, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(4-methoxyphenyl)-3-(pyridine-4-carbonyl)cyclobutyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 139115175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).